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

Systemtic Name: methyl 4-[3-methyl-6-oxidanylidene-2-(pyridin-3-ylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-b]pyridin-4-yl]benzoate Openeye Name: methyl 4-[3-methyl-6-oxo-2-(3-pyridylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-b]pyridin-4-yl]benzoate 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 methyl ester IUPAC Name: methyl 4-[3-methyl-6-oxo-2-(pyridin-3-ylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-b]pyridin-4-yl]benzoate Traditional Name: 4-[6-keto-3-methyl-2-(3-pyridylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-b]pyridin-4-yl]benzoic acid methyl ester Formula: C22H19N3O4S MolecularWeight: 421.46896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O4S/c1-12-18-16(13-5-7-14(8-6-13)22(28)29-2)10-17(26)25-21(18)30-19(12)20(27)24-15-4-3-9-23-11-15/h3-9,11,16H,10H2,1-2H3,(H,24,27)(H,25,26)