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

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[(5-nitronaphthalen-1-yl)methylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[(5-nitro-1-naphthyl)methylamino]butanoate CAS Name: (2S)-4-(methylthio)-2-[(5-nitro-1-naphthalenyl)methylamino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[(5-nitronaphthalen-1-yl)methylamino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(5-nitro-1-naphthyl)methylamino]butyric acid methyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NCC1=CC=CC2=C1C=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CCSC)NCC1=CC=CC2=C1C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O4S/c1-23-17(20)15(9-10-24-2)18-11-12-5-3-7-14-13(12)6-4-8-16(14)19(21)22/h3-8,15,18H,9-11H2,1-2H3/t15-/m0/s1