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

Systemtic Name: [2-(diethylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(diethylamino)-2-oxo-ethyl] (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(diethylamino)-2-oxoethyl] ester IUPAC Name: [2-(diethylamino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid [2-(diethylamino)-2-keto-ethyl] ester Formula: C18H25ClN2O4S MolecularWeight: 400.9201

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

CCN(CC)C(=O)COC(=O)[C@H](CCSC)NC(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C18H25ClN2O4S/c1-4-21(5-2)16(22)12-25-18(24)15(10-11-26-3)20-17(23)13-6-8-14(19)9-7-13/h6-9,15H,4-5,10-12H2,1-3H3,(H,20,23)/t15-/m0/s1