[(2S)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-methylsulfanylbenzoate

Systemtic Name: [(2S)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-methylsulfanylbenzoate Openeye Name: [(1S)-2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [(2S)-1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [(1S)-2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O4S MolecularWeight: 364.45916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4S/c1-12(24-17(22)13-8-10-15(25-2)11-9-13)16(21)20-18(23)19-14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H2,19,20,21,23)/t12-/m0/s1