[(2S)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-methylphenyl)methylsulfanyl]ethanoate

Systemtic Name: [(2S)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-methylphenyl)methylsulfanyl]ethanoate Openeye Name: [(1S)-2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-(p-tolylmethylsulfanyl)acetate CAS Name: 2-[(4-methylphenyl)methylthio]acetic acid [(2S)-1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-methylbenzyl)thio]acetic acid [(1S)-2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)OC(C)C(=O)NC(=O)NC2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCCC2

InChI

InChI=1S/C20H28N2O4S/c1-14-8-10-16(11-9-14)12-27-13-18(23)26-15(2)19(24)22-20(25)21-17-6-4-3-5-7-17/h8-11,15,17H,3-7,12-13H2,1-2H3,(H2,21,22,24,25)/t15-/m0/s1