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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C12H17NO5S2/c1-3-8-4-5-10(19-8)11(14)13-9(12(15)16)6-7-20(2,17)18/h4-5,9H,3,6-7H2,1-2H3,(H,13,14)(H,15,16)