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

Systemtic Name: methyl (2S)-2-[(5-azanylnaphthalen-1-yl)methylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(5-amino-1-naphthyl)methylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[(5-amino-1-naphthalenyl)methylamino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(5-aminonaphthalen-1-yl)methylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(5-amino-1-naphthyl)methylamino]-4-(methylthio)butyric acid methyl ester Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NCC1=CC=CC2=C1C=CC=C2N

Isomeric SMILES

COC(=O)[C@H](CCSC)NCC1=CC=CC2=C1C=CC=C2N

InChI

InChI=1S/C17H22N2O2S/c1-21-17(20)16(9-10-22-2)19-11-12-5-3-7-14-13(12)6-4-8-15(14)18/h3-8,16,19H,9-11,18H2,1-2H3/t16-/m0/s1