2-methylpropyl 2-[ethanoyl-(3-nitrophenyl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: 2-methylpropyl 2-[ethanoyl-(3-nitrophenyl)amino]-4-methylsulfanyl-butanoate Openeye Name: isobutyl 2-(N-acetyl-3-nitro-anilino)-4-methylsulfanyl-butanoate CAS Name: 2-(N-acetyl-3-nitroanilino)-4-(methylthio)butanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-(N-acetyl-3-nitroanilino)-4-methylsulfanylbutanoate Traditional Name: 2-(N-acetyl-3-nitro-anilino)-4-(methylthio)butyric acid isobutyl ester Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(CCSC)N(C1=CC(=CC=C1)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC(C)COC(=O)C(CCSC)N(C1=CC(=CC=C1)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C17H24N2O5S/c1-12(2)11-24-17(21)16(8-9-25-4)18(13(3)20)14-6-5-7-15(10-14)19(22)23/h5-7,10,12,16H,8-9,11H2,1-4H3