methyl (2S)-4-methylsulfanyl-2-[(6-nitronaphthalen-1-yl)carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[(6-nitronaphthalen-1-yl)carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[(6-nitronaphthalene-1-carbonyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[(6-nitro-1-naphthalenyl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[(6-nitronaphthalene-1-carbonyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(6-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=C1C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5S/c1-24-17(21)15(8-9-25-2)18-16(20)14-5-3-4-11-10-12(19(22)23)6-7-13(11)14/h3-7,10,15H,8-9H2,1-2H3,(H,18,20)/t15-/m0/s1