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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)C)Br)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)C)Br)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

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