3-methyl-5-[(4-methylsulfonylphenyl)carbonylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-methyl-5-[(4-methylsulfonylphenyl)carbonylamino]thiophene-2-carboxylic acid Openeye Name: 3-methyl-5-[(4-methylsulfonylbenzoyl)amino]thiophene-2-carboxylic acid CAS Name: 3-methyl-5-[[(4-methylsulfonylphenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-5-[(4-methylsulfonylbenzoyl)amino]thiophene-2-carboxylic acid Traditional Name: 5-[(4-mesylbenzoyl)amino]-3-methyl-2-thenoic acid Formula: C14H13NO5S2 MolecularWeight: 339.38672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C14H13NO5S2/c1-8-7-11(21-12(8)14(17)18)15-13(16)9-3-5-10(6-4-9)22(2,19)20/h3-7H,1-2H3,(H,15,16)(H,17,18)