2-[(5E)-5-[1-(3,4-dimethylphenyl)ethylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate

Systemtic Name: 2-[(5E)-5-[1-(3,4-dimethylphenyl)ethylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Openeye Name: 2-[(5E)-5-[1-(3,4-dimethylphenyl)ethylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonate CAS Name: 2-[(5E)-5-[1-(3,4-dimethylphenyl)ethylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonate IUPAC Name: 2-[(5E)-5-[1-(3,4-dimethylphenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Traditional Name: 2-[(5E)-5-[1-(3,4-dimethylphenyl)ethylidene]-4-keto-2-thioxo-thiazolidin-3-yl]ethanesulfonate Formula: C15H16NO4S3- MolecularWeight: 370.48684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=C2C(=O)N(C(=S)S2)CCS(=O)(=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C(C=C1)/C(=C/2\C(=O)N(C(=S)S2)CCS(=O)(=O)[O-])/C)C

InChI

InChI=1S/C15H17NO4S3/c1-9-4-5-12(8-10(9)2)11(3)13-14(17)16(15(21)22-13)6-7-23(18,19)20/h4-5,8H,6-7H2,1-3H3,(H,18,19,20)/p-1/b13-11+