diethyl 4-(2-chlorophenyl)carbonyl-3-propyl-6H-thieno[2,3-b]pyrrole-2,5-dicarboxylate

Systemtic Name: diethyl 4-(2-chlorophenyl)carbonyl-3-propyl-6H-thieno[2,3-b]pyrrole-2,5-dicarboxylate Openeye Name: diethyl 4-(2-chlorobenzoyl)-3-propyl-6H-thieno[2,3-b]pyrrole-2,5-dicarboxylate CAS Name: 4-[(2-chlorophenyl)-oxomethyl]-3-propyl-6H-thieno[2,3-b]pyrrole-2,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(2-chlorobenzoyl)-3-propyl-6H-thieno[2,3-b]pyrrole-2,5-dicarboxylate Traditional Name: 4-(2-chlorobenzoyl)-3-propyl-6H-thieno[2,3-b]pyrrole-2,5-dicarboxylic acid diethyl ester Formula: C22H22ClNO5S MolecularWeight: 447.93178

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC2=C1C(=C(N2)C(=O)OCC)C(=O)C3=CC=CC=C3Cl)C(=O)OCC

Isomeric SMILES

CCCC1=C(SC2=C1C(=C(N2)C(=O)OCC)C(=O)C3=CC=CC=C3Cl)C(=O)OCC

InChI

InChI=1S/C22H22ClNO5S/c1-4-9-13-15-16(18(25)12-10-7-8-11-14(12)23)17(21(26)28-5-2)24-20(15)30-19(13)22(27)29-6-3/h7-8,10-11,24H,4-6,9H2,1-3H3