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

Systemtic Name: 2-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Openeye Name: 2-[(5E)-5-[(3-bromophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonate CAS Name: 2-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonate IUPAC Name: 2-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Traditional Name: 2-[(5E)-5-(3-bromobenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]ethanesulfonate Formula: C12H9BrNO4S3- MolecularWeight: 407.30316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10BrNO4S3/c13-9-3-1-2-8(6-9)7-10-11(15)14(12(19)20-10)4-5-21(16,17)18/h1-3,6-7H,4-5H2,(H,16,17,18)/p-1/b10-7+