[(2R)-1-[(2,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [(2R)-1-[(2,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [(1R)-2-(2,5-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [(1R)-2-(2,5-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)OC)OC)OC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)OC)OC)OC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C25H22N2O5S/c1-16(24(28)27-20-14-18(30-2)12-13-21(20)31-3)32-25(29)19-9-5-7-11-23(19)33-22-10-6-4-8-17(22)15-26/h4-14,16H,1-3H3,(H,27,28)/t16-/m1/s1