2-benzamido-6-(3-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid

Systemtic Name: 2-benzamido-6-(3-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid Openeye Name: 2-benzamido-6-(3-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid CAS Name: 2-benzamido-6-(3-methyl-1-oxobutyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid IUPAC Name: 2-benzamido-6-(3-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid Traditional Name: 2-benzamido-6-isovaleryl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)N1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4S/c1-12(2)10-16(23)22-9-8-14-15(11-22)27-19(17(14)20(25)26)21-18(24)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,21,24)(H,25,26)