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

Systemtic Name: [2-bromanyl-4-[(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-bromo-4-[(3-ethyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-6-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-bromo-4-[(3-ethyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-6-methoxyphenyl] ester IUPAC Name: [2-bromo-4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-bromo-4-[(3-ethyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-6-methoxy-phenyl] ester Formula: C20H18BrNO5S3 MolecularWeight: 528.45962

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC(=C(C(=C2)Br)OS(=O)(=O)C3=CC=C(C=C3)C)OC)SC1=S

Isomeric SMILES

CCN1C(=O)C(=CC2=CC(=C(C(=C2)Br)OS(=O)(=O)C3=CC=C(C=C3)C)OC)SC1=S

InChI

InChI=1S/C20H18BrNO5S3/c1-4-22-19(23)17(29-20(22)28)11-13-9-15(21)18(16(10-13)26-3)27-30(24,25)14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3