Chemical ID: 7142669

CCN=C1N(C(=O)C(=C2c3ccccc3N(C2=O)CC(=O)O)S1)CC
Chemical ID:
7142669
Name [?]:
2-[3-(3-ethyl-2-ethylimino-4-oxo-thiazolidin-5-ylidene)-2-oxo-indolin-1-yl]acetic acid
SMILES [?]:
CCN=C1N(C(=O)C(=C2c3ccccc3N(C2=O)CC(=O)O)S1)CC
InChi [?]:
InChI=1/C17H17N3O4S/c1-3-18-17-19(4-2)16(24)14(25-17)13-10-7-5-6-8-11(10)20(15(13)23)9-12(21)22/h5-8H,3-4,9H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,2,24,12,13,11,14,19,10,15,20,9,8,17,6,4,3,5,16,21,22,18,7,23/E:(21,22)/rA:25nCCNCNCOCCCCCCCCNCOCCOOSCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s15;s9s16;d17;s16;s19;d20;s20;s4s8;s5;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17N3O4S
All Atoms:42
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:10.0439
Area:546.296
Solvation:-3.61351
Coulombic:-66.6105
Bond Count [?]
All:27
Single:19
Double:8
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.02
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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