3-methyl-4-oxidanylidene-2-(2-phenylethanoyl)-7H-thieno[2,3-b]pyridine-5-carboxylic acid

Systemtic Name: 3-methyl-4-oxidanylidene-2-(2-phenylethanoyl)-7H-thieno[2,3-b]pyridine-5-carboxylic acid Openeye Name: 3-methyl-4-oxo-2-(2-phenylacetyl)-7H-thieno[2,3-b]pyridine-5-carboxylic acid CAS Name: 3-methyl-4-oxo-2-(1-oxo-2-phenylethyl)-7H-thieno[2,3-b]pyridine-5-carboxylic acid IUPAC Name: 3-methyl-4-oxo-2-(2-phenylacetyl)-7H-thieno[2,3-b]pyridine-5-carboxylic acid Traditional Name: 4-keto-3-methyl-2-(2-phenylacetyl)-7H-thieno[2,3-b]pyridine-5-carboxylic acid Formula: C17H13NO4S MolecularWeight: 327.35442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)C(=CN2)C(=O)O)C(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=C1C(=O)C(=CN2)C(=O)O)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H13NO4S/c1-9-13-14(20)11(17(21)22)8-18-16(13)23-15(9)12(19)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,18,20)(H,21,22)