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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)C=C3C(=O)N(C(=S)S3)C(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)C=C3C(=O)N(C(=S)S3)C(CC(=O)O)C(=O)O

InChI

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