2-[(5-bromanylthiophen-3-yl)carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[(5-bromanylthiophen-3-yl)carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(5-bromothiophene-3-carbonyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(5-bromo-3-thiophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(5-bromothiophene-3-carbonyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[(5-bromothiophene-3-carbonyl)amino]-4-mesyl-butyric acid Formula: C10H12BrNO5S2 MolecularWeight: 370.23998

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=CSC(=C1)Br

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=CSC(=C1)Br

InChI

InChI=1S/C10H12BrNO5S2/c1-19(16,17)3-2-7(10(14)15)12-9(13)6-4-8(11)18-5-6/h4-5,7H,2-3H2,1H3,(H,12,13)(H,14,15)