methyl 2-[[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitro-phenyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitro-phenyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitro-anilino]-4-methylsulfanyl-butanoate CAS Name: 2-[2-[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]-4-nitroanilino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitroanilino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-[4-nitro-2-(veratrylcarbamoyl)anilino]butyric acid methyl ester Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O7S/c1-30-19-8-5-14(11-20(19)31-2)13-23-21(26)16-12-15(25(28)29)6-7-17(16)24-18(9-10-33-4)22(27)32-3/h5-8,11-12,18,24H,9-10,13H2,1-4H3,(H,23,26)