methyl 2-[(4-bromanyl-2-thiophen-2-yl-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[(4-bromanyl-2-thiophen-2-yl-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-bromo-2-(2-thienyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-bromo-2-thiophen-2-ylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-2-thiophen-2-ylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-bromo-2-(2-thienyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H18BrNO3S2 MolecularWeight: 428.36372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)Br)C2=CC=CS2

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)Br)C2=CC=CS2

InChI

InChI=1S/C17H18BrNO3S2/c1-22-17(21)14(7-9-23-2)19-16(20)12-6-5-11(18)10-13(12)15-4-3-8-24-15/h3-6,8,10,14H,7,9H2,1-2H3,(H,19,20)