[2-bromanyl-6-methoxy-4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzenesulfonate

Systemtic Name: [2-bromanyl-6-methoxy-4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzenesulfonate Openeye Name: [2-bromo-6-methoxy-4-[(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-bromo-6-methoxy-4-[(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-6-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-bromo-4-[(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-6-methoxy-phenyl] ester Formula: C17H12BrNO5S3 MolecularWeight: 486.37988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)S2)Br)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)S2)Br)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H12BrNO5S3/c1-23-13-8-10(9-14-16(20)19-17(25)26-14)7-12(18)15(13)24-27(21,22)11-5-3-2-4-6-11/h2-9H,1H3,(H,19,20,25)