methyl 4-methylsulfanyl-2-[(3-nitronaphthalen-1-yl)carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[(3-nitronaphthalen-1-yl)carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[(3-nitronaphthalene-1-carbonyl)amino]butanoate CAS Name: 4-(methylthio)-2-[[(3-nitro-1-naphthalenyl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[(3-nitronaphthalene-1-carbonyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(3-nitro-1-naphthoyl)amino]butyric acid methyl ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC(=CC2=CC=CC=C21)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CC(=CC2=CC=CC=C21)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O5S/c1-24-17(21)15(7-8-25-2)18-16(20)14-10-12(19(22)23)9-11-5-3-4-6-13(11)14/h3-6,9-10,15H,7-8H2,1-2H3,(H,18,20)