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

Systemtic Name: [2-bromanyl-6-ethoxy-4-[(Z)-(4-oxidanylidene-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-bromo-6-ethoxy-4-[(Z)-(4-oxo-3-phenyl-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-bromo-6-ethoxy-4-[(Z)-(4-oxo-3-phenyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-6-ethoxy-4-[(Z)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-bromo-6-ethoxy-4-[(Z)-(4-keto-3-phenyl-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C25H20BrNO5S3 MolecularWeight: 590.529

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC=CC=C3)Br)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CC=CC=C3)Br)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H20BrNO5S3/c1-3-31-21-14-17(15-22-24(28)27(25(33)34-22)18-7-5-4-6-8-18)13-20(26)23(21)32-35(29,30)19-11-9-16(2)10-12-19/h4-15H,3H2,1-2H3/b22-15-