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

Systemtic Name: methyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Openeye Name: methyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate CAS Name: 5-[(2-fluoroanilino)-oxomethyl]-4-methyl-2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Traditional Name: 5-[(2-fluorophenyl)carbamoyl]-2-(hydrocinnamoylamino)-4-methyl-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)CCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3F

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3F

InChI

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