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

Systemtic Name: methyl 2-[(4-azanylnaphthalen-2-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(4-aminonaphthalene-2-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-amino-2-naphthalenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(4-aminonaphthalene-2-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-amino-2-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=CC2=CC=CC=C2C(=C1)N

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CC2=CC=CC=C2C(=C1)N

InChI

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