5-methyl-7-oxidanylidene-2-(2,4,6-trimethylphenyl)-4H-thieno[3,2-b]pyridine-6-carboxylic acid

Systemtic Name: 5-methyl-7-oxidanylidene-2-(2,4,6-trimethylphenyl)-4H-thieno[3,2-b]pyridine-6-carboxylic acid Openeye Name: 5-methyl-7-oxo-2-(2,4,6-trimethylphenyl)-4H-thieno[3,2-b]pyridine-6-carboxylic acid CAS Name: 5-methyl-7-oxo-2-(2,4,6-trimethylphenyl)-4H-thieno[3,2-b]pyridine-6-carboxylic acid IUPAC Name: 5-methyl-7-oxo-2-(2,4,6-trimethylphenyl)-4H-thieno[3,2-b]pyridine-6-carboxylic acid Traditional Name: 7-keto-2-mesityl-5-methyl-4H-thieno[3,2-b]pyridine-6-carboxylic acid Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=CC3=C(S2)C(=O)C(=C(N3)C)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=CC3=C(S2)C(=O)C(=C(N3)C)C(=O)O)C

InChI

InChI=1S/C18H17NO3S/c1-8-5-9(2)14(10(3)6-8)13-7-12-17(23-13)16(20)15(18(21)22)11(4)19-12/h5-7H,1-4H3,(H,19,20)(H,21,22)