[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylsulfanylpropanoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylsulfanylpropanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C19H24N2O3S/c1-15(18(23)21-19(14-20)11-6-3-7-12-19)24-17(22)10-13-25-16-8-4-2-5-9-16/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3,(H,21,23)