4-[3-methyl-6-oxidanylidene-2-(pyridin-3-ylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-b]pyridin-4-yl]benzoic acid

Systemtic Name: 4-[3-methyl-6-oxidanylidene-2-(pyridin-3-ylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-b]pyridin-4-yl]benzoic acid Openeye Name: 4-[3-methyl-6-oxo-2-(3-pyridylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-b]pyridin-4-yl]benzoic acid CAS Name: 4-[3-methyl-6-oxo-2-[oxo-(3-pyridinylamino)methyl]-5,7-dihydro-4H-thieno[2,3-b]pyridin-4-yl]benzoic acid IUPAC Name: 4-[3-methyl-6-oxo-2-(pyridin-3-ylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-b]pyridin-4-yl]benzoic acid Traditional Name: 4-[6-keto-3-methyl-2-(3-pyridylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-b]pyridin-4-yl]benzoic acid Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(CC(=O)N2)C3=CC=C(C=C3)C(=O)O)C(=O)NC4=CN=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(CC(=O)N2)C3=CC=C(C=C3)C(=O)O)C(=O)NC4=CN=CC=C4

InChI

InChI=1S/C21H17N3O4S/c1-11-17-15(12-4-6-13(7-5-12)21(27)28)9-16(25)24-20(17)29-18(11)19(26)23-14-3-2-8-22-10-14/h2-8,10,15H,9H2,1H3,(H,23,26)(H,24,25)(H,27,28)