3-methyl-5-[(1-methylsulfonylpyrrolidin-2-yl)carbonylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-methyl-5-[(1-methylsulfonylpyrrolidin-2-yl)carbonylamino]thiophene-2-carboxylic acid Openeye Name: 3-methyl-5-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]thiophene-2-carboxylic acid CAS Name: 3-methyl-5-[[(1-methylsulfonyl-2-pyrrolidinyl)-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-5-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]thiophene-2-carboxylic acid Traditional Name: 5-[(1-mesylprolyl)amino]-3-methyl-2-thenoic acid Formula: C12H16N2O5S2 MolecularWeight: 332.39584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C2CCCN2S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C2CCCN2S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C12H16N2O5S2/c1-7-6-9(20-10(7)12(16)17)13-11(15)8-4-3-5-14(8)21(2,18)19/h6,8H,3-5H2,1-2H3,(H,13,15)(H,16,17)