[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate CAS Name: (2S)-2-[(4-chlorophenyl)thio]propanoic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate Traditional Name: (2S)-2-[(4-chlorophenyl)thio]propionic acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H23ClN2O4S MolecularWeight: 398.90422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC(=O)NC1CCCCC1)SC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC(=O)NC1CCCCC1)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H23ClN2O4S/c1-12(26-15-9-7-13(19)8-10-15)17(23)25-11-16(22)21-18(24)20-14-5-3-2-4-6-14/h7-10,12,14H,2-6,11H2,1H3,(H2,20,21,22,24)/t12-/m0/s1