[(2R)-1-[cyclohexyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [(2R)-1-[cyclohexyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [(1R)-2-[cyclohexyl(methyl)amino]-1-methyl-2-oxo-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [(1R)-2-[cyclohexyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCCCC1)OC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

C[C@H](C(=O)N(C)C1CCCCC1)OC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C24H26N2O3S/c1-17(23(27)26(2)19-11-4-3-5-12-19)29-24(28)20-13-7-9-15-22(20)30-21-14-8-6-10-18(21)16-25/h6-10,13-15,17,19H,3-5,11-12H2,1-2H3/t17-/m1/s1