[2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(ethylcarbamoylamino)-2-oxo-ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(ethylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylcarbamoylamino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-chlorobenzoyl)amino]-4-(methylthio)butyric acid [2-(ethylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H22ClN3O5S MolecularWeight: 415.89168

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)COC(=O)C(CCSC)NC(=O)C1=CC=CC=C1Cl

Isomeric SMILES

CCNC(=O)NC(=O)COC(=O)[C@H](CCSC)NC(=O)C1=CC=CC=C1Cl

InChI

InChI=1S/C17H22ClN3O5S/c1-3-19-17(25)21-14(22)10-26-16(24)13(8-9-27-2)20-15(23)11-6-4-5-7-12(11)18/h4-7,13H,3,8-10H2,1-2H3,(H,20,23)(H2,19,21,22,25)/t13-/m0/s1