Chemical ID: 5818331

CCOC(=O)CN1C(=O)C(=Cc2ccco2)SC1=O
Chemical ID:
5818331
Name [?]:
ethyl 2-[5-(2-furylmethylene)-2,4-dioxo-thiazolidin-3-yl]acetate
SMILES [?]:
CCOC(=O)CN1C(=O)C(=Cc2ccco2)SC1=O
InChi [?]:
InChI=1/C12H11NO5S/c1-2-17-10(14)7-13-11(15)9(19-12(13)16)6-8-4-3-5-18-8/h3-6H,2,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,13,15,11,6,12,10,4,8,18,7,5,9,19,3,16,17/rA:19nCCOCOCNCOCCCCCCOSCO/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;w10;s11;d12;s13;d14;s12s15;s10;s7s17;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11NO5S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:6.82494
Area:455.267
Solvation:-4.55674
Coulombic:-50.2533
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:281.285
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.4
LogP (Chemaxon):0.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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