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

Systemtic Name: ethyl 3-cyano-2-[2-(4-ethoxyphenyl)ethanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 3-cyano-2-[[2-(4-ethoxyphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[2-(4-ethoxyphenyl)-1-oxoethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-2-[[2-(4-ethoxyphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[(2-p-phenetylacetyl)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:

CCOC1=CC=C(C=C1)CC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCC)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCC)C#N

InChI

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