2-[(4,5-dimethylthiophen-2-yl)carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[(4,5-dimethylthiophen-2-yl)carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(4,5-dimethyl-2-thiophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-mesyl-butyric acid Formula: C12H17NO5S2 MolecularWeight: 319.39708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)O)C

Isomeric SMILES

CC1=C(SC(=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)O)C

InChI

InChI=1S/C12H17NO5S2/c1-7-6-10(19-8(7)2)11(14)13-9(12(15)16)4-5-20(3,17)18/h6,9H,4-5H2,1-3H3,(H,13,14)(H,15,16)