4-[(5Z)-4-oxidanylidene-2-sulfanylidene-5-[(2-sulfophenyl)methylidene]-1,3-thiazolidin-3-yl]butanoic acid

Systemtic Name: 4-[(5Z)-4-oxidanylidene-2-sulfanylidene-5-[(2-sulfophenyl)methylidene]-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5Z)-4-oxo-5-[(2-sulfophenyl)methylene]-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5Z)-4-oxo-2-sulfanylidene-5-[(2-sulfophenyl)methylidene]-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5Z)-4-oxo-2-sulfanylidene-5-[(2-sulfophenyl)methylidene]-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5Z)-4-keto-5-(2-sulfobenzylidene)-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C14H13NO6S3 MolecularWeight: 387.45112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H13NO6S3/c16-12(17)6-3-7-15-13(18)10(23-14(15)22)8-9-4-1-2-5-11(9)24(19,20)21/h1-2,4-5,8H,3,6-7H2,(H,16,17)(H,19,20,21)/b10-8-