4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-1-methyl-pyrrole-2-carboxylic acid Formula: C13H14N2O4S2 MolecularWeight: 326.39126

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)O)S(=O)(=O)N2CCC3=C(C2)C=CS3

Isomeric SMILES

CN1C=C(C=C1C(=O)O)S(=O)(=O)N2CCC3=C(C2)C=CS3

InChI

InChI=1S/C13H14N2O4S2/c1-14-8-10(6-11(14)13(16)17)21(18,19)15-4-2-12-9(7-15)3-5-20-12/h3,5-6,8H,2,4,7H2,1H3,(H,16,17)