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

Systemtic Name: [4-[(2E)-3-cyclohexyl-2-(4-ethylphenyl)sulfonylimino-1,3-thiazol-4-yl]phenyl] benzoate Openeye Name: [4-[(2E)-3-cyclohexyl-2-(4-ethylphenyl)sulfonylimino-thiazol-4-yl]phenyl] benzoate CAS Name: benzoic acid [4-[(2E)-3-cyclohexyl-2-(4-ethylphenyl)sulfonylimino-4-thiazolyl]phenyl] ester IUPAC Name: [4-[(2E)-3-cyclohexyl-2-(4-ethylphenyl)sulfonylimino-1,3-thiazol-4-yl]phenyl] benzoate Traditional Name: benzoic acid [4-[(2E)-3-cyclohexyl-2-(4-ethylphenyl)sulfonylimino-4-thiazolin-4-yl]phenyl] ester Formula: C30H30N2O4S2 MolecularWeight: 546.7002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N=C2N(C(=CS2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)/N=C/2\N(C(=CS2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C30H30N2O4S2/c1-2-22-13-19-27(20-14-22)38(34,35)31-30-32(25-11-7-4-8-12-25)28(21-37-30)23-15-17-26(18-16-23)36-29(33)24-9-5-3-6-10-24/h3,5-6,9-10,13-21,25H,2,4,7-8,11-12H2,1H3/b31-30+