ethyl 2-methyl-1-[3-oxidanylidene-3-(thiophen-2-ylmethylamino)propyl]-5-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-1-[3-oxidanylidene-3-(thiophen-2-ylmethylamino)propyl]-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-1-[3-oxo-3-(2-thienylmethylamino)propyl]-5-phenyl-pyrrole-3-carboxylate CAS Name: 2-methyl-1-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-1-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[3-keto-3-(2-thenylamino)propyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CCC(=O)NCC3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CCC(=O)NCC3=CC=CS3)C

InChI

InChI=1S/C22H24N2O3S/c1-3-27-22(26)19-14-20(17-8-5-4-6-9-17)24(16(19)2)12-11-21(25)23-15-18-10-7-13-28-18/h4-10,13-14H,3,11-12,15H2,1-2H3,(H,23,25)