methyl (2S)-2-[methyl-(5-nitronaphthalen-1-yl)carbonyl-amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[methyl-(5-nitronaphthalen-1-yl)carbonyl-amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[methyl-(5-nitronaphthalene-1-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[methyl-[(5-nitro-1-naphthalenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[methyl-(5-nitronaphthalene-1-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[methyl-(5-nitro-1-naphthoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCSC)C(=O)OC)C(=O)C1=CC=CC2=C1C=CC=C2[N+](=O)[O-]

Isomeric SMILES

CN([C@@H](CCSC)C(=O)OC)C(=O)C1=CC=CC2=C1C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O5S/c1-19(16(10-11-26-3)18(22)25-2)17(21)14-8-4-7-13-12(14)6-5-9-15(13)20(23)24/h4-9,16H,10-11H2,1-3H3/t16-/m0/s1