pyridin-3-ylmethyl 3-cyano-2-[3-(2-methoxy-5-methyl-phenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: pyridin-3-ylmethyl 3-cyano-2-[3-(2-methoxy-5-methyl-phenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 3-pyridylmethyl 3-cyano-2-[3-(2-methoxy-5-methyl-phenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[3-(2-methoxy-5-methylphenyl)-1-oxopropyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 3-cyano-2-[3-(2-methoxy-5-methylphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[3-(2-methoxy-5-methyl-phenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 3-pyridylmethyl ester Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCC4=CN=CC=C4)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCC4=CN=CC=C4)C#N

InChI

InChI=1S/C26H26N4O4S/c1-17-5-7-22(33-2)19(12-17)6-8-24(31)29-25-21(13-27)20-9-11-30(15-23(20)35-25)26(32)34-16-18-4-3-10-28-14-18/h3-5,7,10,12,14H,6,8-9,11,15-16H2,1-2H3,(H,29,31)