2-[4-oxidanylidene-5-(quinolin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid

Systemtic Name: 2-[4-oxidanylidene-5-(quinolin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid Openeye Name: 2-[4-oxo-5-(6-quinolylmethylene)-2-thioxo-thiazolidin-3-yl]butanedioic acid CAS Name: 2-[4-oxo-5-(6-quinolinylmethylidene)-2-sulfanylidene-3-thiazolidinyl]butanedioic acid IUPAC Name: 2-[4-oxo-5-(quinolin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid Traditional Name: 2-[4-keto-5-(6-quinolylmethylene)-2-thioxo-thiazolidin-3-yl]succinic acid Formula: C17H12N2O5S2 MolecularWeight: 388.41758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)C=C3C(=O)N(C(=S)S3)C(CC(=O)O)C(=O)O)N=C1

Isomeric SMILES

C1=CC2=C(C=CC(=C2)C=C3C(=O)N(C(=S)S3)C(CC(=O)O)C(=O)O)N=C1

InChI

InChI=1S/C17H12N2O5S2/c20-14(21)8-12(16(23)24)19-15(22)13(26-17(19)25)7-9-3-4-11-10(6-9)2-1-5-18-11/h1-7,12H,8H2,(H,20,21)(H,23,24)