[1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chlorobenzoyl)amino]-4-(methylthio)butyric acid [2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H31ClN2O4S MolecularWeight: 455.01054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CC(C(=O)NCC1CCCCC1)OC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C22H31ClN2O4S/c1-15(20(26)24-14-16-8-4-3-5-9-16)29-22(28)19(12-13-30-2)25-21(27)17-10-6-7-11-18(17)23/h6-7,10-11,15-16,19H,3-5,8-9,12-14H2,1-2H3,(H,24,26)(H,25,27)