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

Systemtic Name: methyl 2-[(4-azanylnaphthalen-1-yl)carbonylamino]-3-methylsulfanyl-propanoate Openeye Name: methyl 2-[(4-aminonaphthalene-1-carbonyl)amino]-3-methylsulfanyl-propanoate CAS Name: 2-[[(4-amino-1-naphthalenyl)-oxomethyl]amino]-3-(methylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[(4-aminonaphthalene-1-carbonyl)amino]-3-methylsulfanylpropanoate Traditional Name: 2-[(4-amino-1-naphthoyl)amino]-3-(methylthio)propionic acid methyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSC)NC(=O)C1=CC=C(C2=CC=CC=C21)N

Isomeric SMILES

COC(=O)C(CSC)NC(=O)C1=CC=C(C2=CC=CC=C21)N

InChI

InChI=1S/C16H18N2O3S/c1-21-16(20)14(9-22-2)18-15(19)12-7-8-13(17)11-6-4-3-5-10(11)12/h3-8,14H,9,17H2,1-2H3,(H,18,19)