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

Systemtic Name: methyl 2-[(4-fluorophenyl)carbonylamino]-4-methyl-5-(phenethylcarbamoyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(4-fluorobenzoyl)amino]-4-methyl-5-(phenethylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[(4-fluorophenyl)-oxomethyl]amino]-4-methyl-5-[oxo-(phenethylamino)methyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-fluorobenzoyl)amino]-4-methyl-5-(phenethylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[(4-fluorobenzoyl)amino]-4-methyl-5-(phenethylcarbamoyl)thiophene-3-carboxylic acid methyl ester Formula: C23H21FN2O4S MolecularWeight: 440.487243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)F)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)F)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H21FN2O4S/c1-14-18(23(29)30-2)22(26-20(27)16-8-10-17(24)11-9-16)31-19(14)21(28)25-13-12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,25,28)(H,26,27)