[4-[(2E)-2-(4-bromophenyl)sulfonylimino-3-phenyl-1,3-thiazol-4-yl]phenyl] benzoate

Systemtic Name: [4-[(2E)-2-(4-bromophenyl)sulfonylimino-3-phenyl-1,3-thiazol-4-yl]phenyl] benzoate Openeye Name: [4-[(2E)-2-(4-bromophenyl)sulfonylimino-3-phenyl-thiazol-4-yl]phenyl] benzoate CAS Name: benzoic acid [4-[(2E)-2-(4-bromophenyl)sulfonylimino-3-phenyl-4-thiazolyl]phenyl] ester IUPAC Name: [4-[(2E)-2-(4-bromophenyl)sulfonylimino-3-phenyl-1,3-thiazol-4-yl]phenyl] benzoate Traditional Name: benzoic acid [4-[(2E)-2-brosylimino-3-phenyl-4-thiazolin-4-yl]phenyl] ester Formula: C28H19BrN2O4S2 MolecularWeight: 591.49546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CSC(=NS(=O)(=O)C4=CC=C(C=C4)Br)N3C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CS/C(=N/S(=O)(=O)C4=CC=C(C=C4)Br)/N3C5=CC=CC=C5

InChI

InChI=1S/C28H19BrN2O4S2/c29-22-13-17-25(18-14-22)37(33,34)30-28-31(23-9-5-2-6-10-23)26(19-36-28)20-11-15-24(16-12-20)35-27(32)21-7-3-1-4-8-21/h1-19H/b30-28+