methyl 2-[(4-chlorophenyl)amino]-4-methyl-5-(4-methylsulfonylphenyl)carbonyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-chlorophenyl)amino]-4-methyl-5-(4-methylsulfonylphenyl)carbonyl-thiophene-3-carboxylate Openeye Name: methyl 2-(4-chloroanilino)-4-methyl-5-(4-methylsulfonylbenzoyl)thiophene-3-carboxylate CAS Name: 2-(4-chloroanilino)-4-methyl-5-[(4-methylsulfonylphenyl)-oxomethyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-chloroanilino)-4-methyl-5-(4-methylsulfonylbenzoyl)thiophene-3-carboxylate Traditional Name: 2-(4-chloroanilino)-5-(4-mesylbenzoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H18ClNO5S2 MolecularWeight: 463.95432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H18ClNO5S2/c1-12-17(21(25)28-2)20(23-15-8-6-14(22)7-9-15)29-19(12)18(24)13-4-10-16(11-5-13)30(3,26)27/h4-11,23H,1-3H3