[(1R)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [(1R)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [(1R)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C30H24N2O3S MolecularWeight: 492.58816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C30H24N2O3S/c1-20-16-17-21(2)25(18-20)32-29(33)28(22-10-4-3-5-11-22)35-30(34)24-13-7-9-15-27(24)36-26-14-8-6-12-23(26)19-31/h3-18,28H,1-2H3,(H,32,33)/t28-/m1/s1