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

Systemtic Name: 2-[(5E)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Openeye Name: 2-[(5E)-5-[(4-methoxycarbonylphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonate CAS Name: 2-[(5E)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonate IUPAC Name: 2-[(5E)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Traditional Name: 2-[(5E)-5-(4-carbomethoxybenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]ethanesulfonate Formula: C14H12NO6S3- MolecularWeight: 386.44318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO6S3/c1-21-13(17)10-4-2-9(3-5-10)8-11-12(16)15(14(22)23-11)6-7-24(18,19)20/h2-5,8H,6-7H2,1H3,(H,18,19,20)/p-1/b11-8+