2-hydroxyethyl 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: 2-hydroxyethyl 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 2-hydroxyethyl 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[3-(2-methoxyphenyl)-1-oxopropyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 2-hydroxyethyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCCO)C#N

Isomeric SMILES

COC1=CC=CC=C1CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCCO)C#N

InChI

InChI=1S/C21H23N3O5S/c1-28-17-5-3-2-4-14(17)6-7-19(26)23-20-16(12-22)15-8-9-24(13-18(15)30-20)21(27)29-11-10-25/h2-5,25H,6-11,13H2,1H3,(H,23,26)