methyl 5-[(4-fluorophenyl)carbamoyl]-4-methyl-2-[(3-methylphenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-[(4-fluorophenyl)carbamoyl]-4-methyl-2-[(3-methylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 5-[(4-fluorophenyl)carbamoyl]-4-methyl-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylate CAS Name: 5-[(4-fluoroanilino)-oxomethyl]-4-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-fluorophenyl)carbamoyl]-4-methyl-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-[(4-fluorophenyl)carbamoyl]-4-methyl-2-(m-toluoylamino)thiophene-3-carboxylic acid methyl ester Formula: C22H19FN2O4S MolecularWeight: 426.460663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=C(C(=C(S2)C(=O)NC3=CC=C(C=C3)F)C)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C(=C(S2)C(=O)NC3=CC=C(C=C3)F)C)C(=O)OC

InChI

InChI=1S/C22H19FN2O4S/c1-12-5-4-6-14(11-12)19(26)25-21-17(22(28)29-3)13(2)18(30-21)20(27)24-16-9-7-15(23)8-10-16/h4-11H,1-3H3,(H,24,27)(H,25,26)