[(2S)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [(2S)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [(1S)-2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [(2S)-1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [(1S)-2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H25ClN2O4S MolecularWeight: 412.9308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC1CCCCC1)OC(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H25ClN2O4S/c1-13(18(24)22-19(25)21-15-5-3-2-4-6-15)26-17(23)11-12-27-16-9-7-14(20)8-10-16/h7-10,13,15H,2-6,11-12H2,1H3,(H2,21,22,24,25)/t13-/m0/s1