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

Systemtic Name: 3-methyl-4-(2-methylphenyl)carbonyl-6H-thieno[2,3-b]pyrrole-2,5-dicarboxylic acid Openeye Name: 3-methyl-4-(2-methylbenzoyl)-6H-thieno[2,3-b]pyrrole-2,5-dicarboxylic acid CAS Name: 3-methyl-4-[(2-methylphenyl)-oxomethyl]-6H-thieno[2,3-b]pyrrole-2,5-dicarboxylic acid IUPAC Name: 3-methyl-4-(2-methylbenzoyl)-6H-thieno[2,3-b]pyrrole-2,5-dicarboxylic acid Traditional Name: 3-methyl-4-o-toluoyl-6H-thieno[2,3-b]pyrrole-2,5-dicarboxylic acid Formula: C17H13NO5S MolecularWeight: 343.35382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=C(NC3=C2C(=C(S3)C(=O)O)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=C(NC3=C2C(=C(S3)C(=O)O)C)C(=O)O

InChI

InChI=1S/C17H13NO5S/c1-7-5-3-4-6-9(7)13(19)11-10-8(2)14(17(22)23)24-15(10)18-12(11)16(20)21/h3-6,18H,1-2H3,(H,20,21)(H,22,23)