ethyl 4-(3-fluorophenyl)-1-(phenylmethyl)-3-(thiophen-2-ylcarbonylamino)pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(3-fluorophenyl)-1-(phenylmethyl)-3-(thiophen-2-ylcarbonylamino)pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-4-(3-fluorophenyl)-3-(thiophene-2-carbonylamino)pyrrole-2-carboxylate CAS Name: 4-(3-fluorophenyl)-3-[[oxo(thiophen-2-yl)methyl]amino]-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(3-fluorophenyl)-3-(thiophene-2-carbonylamino)pyrrole-2-carboxylate Traditional Name: 1-benzyl-4-(3-fluorophenyl)-3-(2-thenoylamino)pyrrole-2-carboxylic acid ethyl ester Formula: C25H21FN2O3S MolecularWeight: 448.509243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CN1CC2=CC=CC=C2)C3=CC(=CC=C3)F)NC(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(C(=CN1CC2=CC=CC=C2)C3=CC(=CC=C3)F)NC(=O)C4=CC=CS4

InChI

InChI=1S/C25H21FN2O3S/c1-2-31-25(30)23-22(27-24(29)21-12-7-13-32-21)20(18-10-6-11-19(26)14-18)16-28(23)15-17-8-4-3-5-9-17/h3-14,16H,2,15H2,1H3,(H,27,29)