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

Systemtic Name: 4-[3-methyl-6-oxidanylidene-2-(phenylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-b]pyridin-4-yl]benzoic acid Openeye Name: 4-[3-methyl-6-oxo-2-(phenylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-b]pyridin-4-yl]benzoic acid CAS Name: 4-[2-[anilino(oxo)methyl]-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridin-4-yl]benzoic acid IUPAC Name: 4-[3-methyl-6-oxo-2-(phenylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-b]pyridin-4-yl]benzoic acid Traditional Name: 4-[6-keto-3-methyl-2-(phenylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-b]pyridin-4-yl]benzoic acid Formula: C22H18N2O4S MolecularWeight: 406.45432

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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=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O4S/c1-12-18-16(13-7-9-14(10-8-13)22(27)28)11-17(25)24-21(18)29-19(12)20(26)23-15-5-3-2-4-6-15/h2-10,16H,11H2,1H3,(H,23,26)(H,24,25)(H,27,28)