methyl 4-methylsulfanyl-2-[(4-nitronaphthalen-2-yl)-(phenylcarbonyl)amino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[(4-nitronaphthalen-2-yl)-(phenylcarbonyl)amino]butanoate Openeye Name: methyl 2-[benzoyl-(4-nitro-2-naphthyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[benzoyl-(4-nitro-2-naphthalenyl)amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[benzoyl-(4-nitronaphthalen-2-yl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[benzoyl-(4-nitro-2-naphthyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)N(C1=CC2=CC=CC=C2C(=C1)[N+](=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)N(C1=CC2=CC=CC=C2C(=C1)[N+](=O)[O-])C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H22N2O5S/c1-30-23(27)20(12-13-31-2)24(22(26)16-8-4-3-5-9-16)18-14-17-10-6-7-11-19(17)21(15-18)25(28)29/h3-11,14-15,20H,12-13H2,1-2H3