tert-butyl 4-[5-(5-cyano-6-oxidanyl-4-oxidanylidene-7H-thieno[2,3-b]pyridin-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-(5-cyano-6-oxidanyl-4-oxidanylidene-7H-thieno[2,3-b]pyridin-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate Openeye Name: tert-butyl 4-[5-(5-cyano-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridin-3-yl)-2-thienyl]-3,6-dihydro-2H-pyridine-1-carboxylate CAS Name: 4-[5-(5-cyano-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridin-3-yl)-2-thiophenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(5-cyano-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridin-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate Traditional Name: 4-[5-(5-cyano-6-hydroxy-4-keto-7H-thieno[2,3-b]pyridin-3-yl)-2-thienyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=CC1)C2=CC=C(S2)C3=CSC4=C3C(=O)C(=C(N4)O)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=CC1)C2=CC=C(S2)C3=CSC4=C3C(=O)C(=C(N4)O)C#N

InChI

InChI=1S/C22H21N3O4S2/c1-22(2,3)29-21(28)25-8-6-12(7-9-25)15-4-5-16(31-15)14-11-30-20-17(14)18(26)13(10-23)19(27)24-20/h4-6,11H,7-9H2,1-3H3,(H2,24,26,27)