[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate CAS Name: (2S)-2-[(4-chlorophenyl)thio]propanoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate Traditional Name: (2S)-2-[(4-chlorophenyl)thio]propionic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H23ClN2O4S MolecularWeight: 386.89352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O4S/c1-11(2)8-9-19-17(23)20-15(21)10-24-16(22)12(3)25-14-6-4-13(18)5-7-14/h4-7,11-12H,8-10H2,1-3H3,(H2,19,20,21,23)/t12-/m0/s1