ethyl 3-cyano-2-[3-(5-methylpyrazol-1-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: ethyl 3-cyano-2-[3-(5-methylpyrazol-1-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 3-cyano-2-[3-(5-methylpyrazol-1-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[3-(5-methyl-1-pyrazolyl)-1-oxopropyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-2-[3-(5-methylpyrazol-1-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[3-(5-methylpyrazol-1-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCN3C(=CC=N3)C

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCN3C(=CC=N3)C

InChI

InChI=1S/C18H21N5O3S/c1-3-26-18(25)22-8-5-13-14(10-19)17(27-15(13)11-22)21-16(24)6-9-23-12(2)4-7-20-23/h4,7H,3,5-6,8-9,11H2,1-2H3,(H,21,24)