tert-butyl 2-[[2-oxidanylidene-2-(2-pyridin-3-yloxyethanoyloxy)ethyl]carbamoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate

Systemtic Name: tert-butyl 2-[[2-oxidanylidene-2-(2-pyridin-3-yloxyethanoyloxy)ethyl]carbamoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate Openeye Name: tert-butyl 2-[[2-oxo-2-[2-(3-pyridyloxy)acetyl]oxy-ethyl]carbamoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate CAS Name: 2-[oxo-[[2-oxo-2-[1-oxo-2-(3-pyridinyloxy)ethoxy]ethyl]amino]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-oxo-2-(2-pyridin-3-yloxyacetyl)oxyethyl]carbamoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate Traditional Name: 2-[[2-keto-2-[2-(3-pyridyloxy)acetyl]oxy-ethyl]carbamoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid tert-butyl ester Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(S2)C(=O)NCC(=O)OC(=O)COC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(S2)C(=O)NCC(=O)OC(=O)COC3=CN=CC=C3

InChI

InChI=1S/C22H25N3O7S/c1-22(2,3)32-21(29)25-8-6-16-14(12-25)9-17(33-16)20(28)24-11-18(26)31-19(27)13-30-15-5-4-7-23-10-15/h4-5,7,9-10H,6,8,11-13H2,1-3H3,(H,24,28)