tert-butyl 3-cyano-2-(4-phenylsulfanylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: tert-butyl 3-cyano-2-(4-phenylsulfanylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: tert-butyl 3-cyano-2-(4-phenylsulfanylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[1-oxo-4-(phenylthio)butyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-cyano-2-(4-phenylsulfanylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[4-(phenylthio)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid tert-butyl ester Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O3S2/c1-23(2,3)29-22(28)26-12-11-17-18(14-24)21(31-19(17)15-26)25-20(27)10-7-13-30-16-8-5-4-6-9-16/h4-6,8-9H,7,10-13,15H2,1-3H3,(H,25,27)