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

Systemtic Name: methyl 2-[(4-bromanylnaphthalen-1-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(4-bromonaphthalene-1-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-bromo-1-naphthalenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(4-bromonaphthalene-1-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-bromo-1-naphthoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C17H18BrNO3S MolecularWeight: 396.29872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC=C(C2=CC=CC=C21)Br

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CC=C(C2=CC=CC=C21)Br

InChI

InChI=1S/C17H18BrNO3S/c1-22-17(21)15(9-10-23-2)19-16(20)13-7-8-14(18)12-6-4-3-5-11(12)13/h3-8,15H,9-10H2,1-2H3,(H,19,20)