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

Systemtic Name: diethyl 3-methyl-4-(2-methylphenyl)carbonyl-6H-thieno[2,3-b]pyrrole-2,5-dicarboxylate Openeye Name: diethyl 3-methyl-4-(2-methylbenzoyl)-6H-thieno[2,3-b]pyrrole-2,5-dicarboxylate CAS Name: 3-methyl-4-[(2-methylphenyl)-oxomethyl]-6H-thieno[2,3-b]pyrrole-2,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-4-(2-methylbenzoyl)-6H-thieno[2,3-b]pyrrole-2,5-dicarboxylate Traditional Name: 3-methyl-4-o-toluoyl-6H-thieno[2,3-b]pyrrole-2,5-dicarboxylic acid diethyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)SC(=C2C)C(=O)OCC)C(=O)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)SC(=C2C)C(=O)OCC)C(=O)C3=CC=CC=C3C

InChI

InChI=1S/C21H21NO5S/c1-5-26-20(24)16-15(17(23)13-10-8-7-9-11(13)3)14-12(4)18(21(25)27-6-2)28-19(14)22-16/h7-10,22H,5-6H2,1-4H3