[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(4-ethylanilino)-2-oxo-ethyl] 2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(4-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chlorobenzoyl)amino]-4-(methylthio)butyric acid [2-(4-ethylanilino)-2-keto-ethyl] ester Formula: C22H25ClN2O4S MolecularWeight: 448.9629

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C22H25ClN2O4S/c1-3-15-8-10-16(11-9-15)24-20(26)14-29-22(28)19(12-13-30-2)25-21(27)17-6-4-5-7-18(17)23/h4-11,19H,3,12-14H2,1-2H3,(H,24,26)(H,25,27)