4-[(E)-[4-oxidanylidene-2-sulfanylidene-3-(2-sulfonatoethyl)-1,3-thiazolidin-5-ylidene]methyl]benzoate

Systemtic Name: 4-[(E)-[4-oxidanylidene-2-sulfanylidene-3-(2-sulfonatoethyl)-1,3-thiazolidin-5-ylidene]methyl]benzoate Openeye Name: 4-[(E)-[4-oxo-3-(2-sulfonatoethyl)-2-thioxo-thiazolidin-5-ylidene]methyl]benzoate CAS Name: 4-[(E)-[4-oxo-2-sulfanylidene-3-(2-sulfonatoethyl)-5-thiazolidinylidene]methyl]benzoate IUPAC Name: 4-[(E)-[4-oxo-2-sulfanylidene-3-(2-sulfonatoethyl)-1,3-thiazolidin-5-ylidene]methyl]benzoate Traditional Name: 4-[(E)-[4-keto-3-(2-sulfonatoethyl)-2-thioxo-thiazolidin-5-ylidene]methyl]benzoate Formula: C13H9NO6S3-2 MolecularWeight: 371.40866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)CCS(=O)(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)CCS(=O)(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H11NO6S3/c15-11-10(7-8-1-3-9(4-2-8)12(16)17)22-13(21)14(11)5-6-23(18,19)20/h1-4,7H,5-6H2,(H,16,17)(H,18,19,20)/p-2/b10-7+