methyl 2-[(4-bromanyl-2-thiophen-2-yl-phenyl)carbonylamino]-3-methylsulfanyl-propanoate

Systemtic Name: methyl 2-[(4-bromanyl-2-thiophen-2-yl-phenyl)carbonylamino]-3-methylsulfanyl-propanoate Openeye Name: methyl 2-[[4-bromo-2-(2-thienyl)benzoyl]amino]-3-methylsulfanyl-propanoate CAS Name: 2-[[(4-bromo-2-thiophen-2-ylphenyl)-oxomethyl]amino]-3-(methylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-2-thiophen-2-ylbenzoyl)amino]-3-methylsulfanylpropanoate Traditional Name: 2-[[4-bromo-2-(2-thienyl)benzoyl]amino]-3-(methylthio)propionic acid methyl ester Formula: C16H16BrNO3S2 MolecularWeight: 414.33714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNO3S2/c1-21-16(20)13(9-22-2)18-15(19)11-6-5-10(17)8-12(11)14-4-3-7-23-14/h3-8,13H,9H2,1-2H3,(H,18,19)