[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4S/c1-13(2)8-10-18-17(22)19-15(20)12-23-16(21)9-11-24-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H2,18,19,20,22)