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

Systemtic Name: methyl 2-[(3-azanylnaphthalen-1-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(3-aminonaphthalene-1-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(3-amino-1-naphthalenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(3-aminonaphthalene-1-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(3-amino-1-naphthoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC(=CC2=CC=CC=C21)N

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CC(=CC2=CC=CC=C21)N

InChI

InChI=1S/C17H20N2O3S/c1-22-17(21)15(7-8-23-2)19-16(20)14-10-12(18)9-11-5-3-4-6-13(11)14/h3-6,9-10,15H,7-8,18H2,1-2H3,(H,19,20)