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

Systemtic Name: 2-[(5Z)-5-(1-benzothiophen-2-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid Openeye Name: 2-[(5Z)-5-(benzothiophen-2-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]butanedioic acid CAS Name: 2-[(5Z)-5-(1-benzothiophen-2-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanedioic acid IUPAC Name: 2-[(5Z)-5-(1-benzothiophen-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid Traditional Name: 2-[(5Z)-5-(benzothiophen-2-ylmethylene)-4-keto-2-thioxo-thiazolidin-3-yl]succinic acid Formula: C16H11NO5S3 MolecularWeight: 393.45724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C=C3C(=O)N(C(=S)S3)C(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)/C=C\3/C(=O)N(C(=S)S3)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C16H11NO5S3/c18-13(19)7-10(15(21)22)17-14(20)12(25-16(17)23)6-9-5-8-3-1-2-4-11(8)24-9/h1-6,10H,7H2,(H,18,19)(H,21,22)/b12-6-