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

Systemtic Name: methyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-[(3-nitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 5-[(2-fluoroanilino)-oxomethyl]-4-methyl-2-[[(3-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C21H16FN3O6S MolecularWeight: 457.431643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3F

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C21H16FN3O6S/c1-11-16(21(28)31-2)20(24-18(26)12-6-5-7-13(10-12)25(29)30)32-17(11)19(27)23-15-9-4-3-8-14(15)22/h3-10H,1-2H3,(H,23,27)(H,24,26)