3-[3-[4-oxidanylidene-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid

Systemtic Name: 3-[3-[4-oxidanylidene-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid Openeye Name: 3-[3-[4-oxo-5-(2-thienylmethylene)-2-thioxo-thiazolidin-3-yl]propanoylamino]benzoic acid CAS Name: 3-[[1-oxo-3-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-3-thiazolidinyl]propyl]amino]benzoic acid IUPAC Name: 3-[3-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid Traditional Name: 3-[3-[4-keto-5-(2-thenylidene)-2-thioxo-thiazolidin-3-yl]propanoylamino]benzoic acid Formula: C18H14N2O4S3 MolecularWeight: 418.50976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCN2C(=O)C(=CC3=CC=CS3)SC2=S)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCN2C(=O)C(=CC3=CC=CS3)SC2=S)C(=O)O

InChI

InChI=1S/C18H14N2O4S3/c21-15(19-12-4-1-3-11(9-12)17(23)24)6-7-20-16(22)14(27-18(20)25)10-13-5-2-8-26-13/h1-5,8-10H,6-7H2,(H,19,21)(H,23,24)