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

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate CAS Name: (2S)-2-[(4-chlorophenyl)thio]propanoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate Traditional Name: (2S)-2-[(4-chlorophenyl)thio]propionic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H21ClN2O4S MolecularWeight: 372.86694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C(C)SC1=CC=C(C=C1)Cl

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC(=O)NCC(C)C)SC1=CC=C(C=C1)Cl

InChI

InChI=1S/C16H21ClN2O4S/c1-10(2)8-18-16(22)19-14(20)9-23-15(21)11(3)24-13-6-4-12(17)5-7-13/h4-7,10-11H,8-9H2,1-3H3,(H2,18,19,20,22)/t11-/m0/s1