methyl 2-benzamido-4-methyl-5-(4-methylsulfonylphenyl)carbonyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-benzamido-4-methyl-5-(4-methylsulfonylphenyl)carbonyl-thiophene-3-carboxylate Openeye Name: methyl 2-benzamido-4-methyl-5-(4-methylsulfonylbenzoyl)thiophene-3-carboxylate CAS Name: 2-benzamido-4-methyl-5-[(4-methylsulfonylphenyl)-oxomethyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-benzamido-4-methyl-5-(4-methylsulfonylbenzoyl)thiophene-3-carboxylate Traditional Name: 2-benzamido-5-(4-mesylbenzoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H19NO6S2 MolecularWeight: 457.51936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H19NO6S2/c1-13-17(22(26)29-2)21(23-20(25)15-7-5-4-6-8-15)30-19(13)18(24)14-9-11-16(12-10-14)31(3,27)28/h4-12H,1-3H3,(H,23,25)