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

Systemtic Name: [4-[(2E)-2-(4-bromophenyl)sulfonylimino-3-prop-2-enyl-1,3-thiazol-4-yl]phenyl] benzoate Openeye Name: [4-[(2E)-3-allyl-2-(4-bromophenyl)sulfonylimino-thiazol-4-yl]phenyl] benzoate CAS Name: benzoic acid [4-[(2E)-2-(4-bromophenyl)sulfonylimino-3-prop-2-enyl-4-thiazolyl]phenyl] ester IUPAC Name: [4-[(2E)-2-(4-bromophenyl)sulfonylimino-3-prop-2-enyl-1,3-thiazol-4-yl]phenyl] benzoate Traditional Name: benzoic acid [4-[(2E)-3-allyl-2-brosylimino-4-thiazolin-4-yl]phenyl] ester Formula: C25H19BrN2O4S2 MolecularWeight: 555.46336

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=CSC1=NS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C=CCN\1C(=CS/C1=N/S(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H19BrN2O4S2/c1-2-16-28-23(17-33-25(28)27-34(30,31)22-14-10-20(26)11-15-22)18-8-12-21(13-9-18)32-24(29)19-6-4-3-5-7-19/h2-15,17H,1,16H2/b27-25+