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

Systemtic Name: ethyl 3-cyano-2-[2-(4-propan-2-ylsulfanylphenyl)ethanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 3-cyano-2-[[2-(4-isopropylsulfanylphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[1-oxo-2-[4-(propan-2-ylthio)phenyl]ethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-2-[[2-(4-propan-2-ylsulfanylphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[[2-[4-(isopropylthio)phenyl]acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CC3=CC=C(C=C3)SC(C)C

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CC3=CC=C(C=C3)SC(C)C

InChI

InChI=1S/C22H25N3O3S2/c1-4-28-22(27)25-10-9-17-18(12-23)21(30-19(17)13-25)24-20(26)11-15-5-7-16(8-6-15)29-14(2)3/h5-8,14H,4,9-11,13H2,1-3H3,(H,24,26)