2-[(5Z)-5-[(5-bromanyl-2-methoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate

Systemtic Name: 2-[(5Z)-5-[(5-bromanyl-2-methoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Openeye Name: 2-[(5Z)-5-[(5-bromo-2-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonate CAS Name: 2-[(5Z)-5-[(5-bromo-2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonate IUPAC Name: 2-[(5Z)-5-[(5-bromo-2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Traditional Name: 2-[(5Z)-5-(5-bromo-2-methoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]ethanesulfonate Formula: C13H11BrNO5S3- MolecularWeight: 437.32914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=C2C(=O)N(C(=S)S2)CCS(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C\2/C(=O)N(C(=S)S2)CCS(=O)(=O)[O-]

InChI

InChI=1S/C13H12BrNO5S3/c1-20-10-3-2-9(14)6-8(10)7-11-12(16)15(13(21)22-11)4-5-23(17,18)19/h2-3,6-7H,4-5H2,1H3,(H,17,18,19)/p-1/b11-7-