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

Systemtic Name: ethyl 3-cyano-2-[(3-pentoxyphenyl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 3-cyano-2-[(3-pentoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[oxo-(3-pentoxyphenyl)methyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-2-[(3-pentoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 2-[(3-amoxybenzoyl)amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCC)C#N

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCC)C#N

InChI

InChI=1S/C23H27N3O4S/c1-3-5-6-12-30-17-9-7-8-16(13-17)21(27)25-22-19(14-24)18-10-11-26(15-20(18)31-22)23(28)29-4-2/h7-9,13H,3-6,10-12,15H2,1-2H3,(H,25,27)