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

Systemtic Name: 2-acetyloxyethyl 3-cyano-2-[3-(furan-2-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 2-acetoxyethyl 3-cyano-2-[3-(2-furyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[3-(2-furanyl)-1-oxopropyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 2-acetyloxyethyl ester IUPAC Name: 2-acetyloxyethyl 3-cyano-2-[3-(furan-2-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[3-(2-furyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 2-acetoxyethyl ester Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC3=CC=CO3

Isomeric SMILES

CC(=O)OCCOC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC3=CC=CO3

InChI

InChI=1S/C20H21N3O6S/c1-13(24)27-9-10-29-20(26)23-7-6-15-16(11-21)19(30-17(15)12-23)22-18(25)5-4-14-3-2-8-28-14/h2-3,8H,4-7,9-10,12H2,1H3,(H,22,25)