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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C3C(=O)NC(=S)S3)Br

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C3C(=O)NC(=S)S3)Br

InChI

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