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

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(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)CCSC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)CCSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C17H23ClN2O4S/c1-12(2)7-9-19-17(23)20-15(21)11-24-16(22)8-10-25-14-5-3-13(18)4-6-14/h3-6,12H,7-11H2,1-2H3,(H2,19,20,21,23)