[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] 2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C21H22ClN3O7S MolecularWeight: 495.93328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C(CCSC)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C(CCSC)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H22ClN3O7S/c1-31-18-11-15(25(29)30)7-8-16(18)23-19(26)12-32-21(28)17(9-10-33-2)24-20(27)13-3-5-14(22)6-4-13/h3-8,11,17H,9-10,12H2,1-2H3,(H,23,26)(H,24,27)