ethyl 3-cyano-2-[(4-propan-2-yloxyphenyl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: ethyl 3-cyano-2-[(4-propan-2-yloxyphenyl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 3-cyano-2-[(4-isopropoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-2-[(4-propan-2-yloxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[(4-isopropoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)OC(C)C

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)OC(C)C

InChI

InChI=1S/C21H23N3O4S/c1-4-27-21(26)24-10-9-16-17(11-22)20(29-18(16)12-24)23-19(25)14-5-7-15(8-6-14)28-13(2)3/h5-8,13H,4,9-10,12H2,1-3H3,(H,23,25)