2-[(5Z)-5-[(4-tert-butylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate

Systemtic Name: 2-[(5Z)-5-[(4-tert-butylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Openeye Name: 2-[(5Z)-5-[(4-tert-butylphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonate CAS Name: 2-[(5Z)-5-[(4-tert-butylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonate IUPAC Name: 2-[(5Z)-5-[(4-tert-butylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Traditional Name: 2-[(5Z)-5-(4-tert-butylbenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]ethanesulfonate Formula: C16H18NO4S3- MolecularWeight: 384.51342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO4S3/c1-16(2,3)12-6-4-11(5-7-12)10-13-14(18)17(15(22)23-13)8-9-24(19,20)21/h4-7,10H,8-9H2,1-3H3,(H,19,20,21)/p-1/b13-10-