[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-cyclohexylbenzoate

Systemtic Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-cyclohexylbenzoate Openeye Name: [(1R)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 4-cyclohexylbenzoate CAS Name: 4-cyclohexylbenzoic acid [(2R)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 4-cyclohexylbenzoate Traditional Name: 4-cyclohexylbenzoic acid [(1R)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)C2=CC=C(C=C2)C3CCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C#N)OC(=O)C2=CC=C(C=C2)C3CCCCC3

InChI

InChI=1S/C21H22N2O3S/c1-14(19(24)23-20-18(13-22)11-12-27-20)26-21(25)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-12,14-15H,2-6H2,1H3,(H,23,24)/t14-/m1/s1