ethyl 3,5-dimethyl-1-(phenylmethyl)-4-(thiophen-2-ylmethylcarbamoyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-1-(phenylmethyl)-4-(thiophen-2-ylmethylcarbamoyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-3,5-dimethyl-4-(2-thienylmethylcarbamoyl)pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[oxo-(thiophen-2-ylmethylamino)methyl]-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3,5-dimethyl-4-(thiophen-2-ylmethylcarbamoyl)pyrrole-2-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-4-(2-thenylcarbamoyl)pyrrole-2-carboxylic acid ethyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)NCC3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)NCC3=CC=CS3)C

InChI

InChI=1S/C22H24N2O3S/c1-4-27-22(26)20-15(2)19(21(25)23-13-18-11-8-12-28-18)16(3)24(20)14-17-9-6-5-7-10-17/h5-12H,4,13-14H2,1-3H3,(H,23,25)