methyl 6-ethyl-2-(4-phenylsulfanylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: methyl 6-ethyl-2-(4-phenylsulfanylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-ethyl-2-(4-phenylsulfanylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-ethyl-2-[[1-oxo-4-(phenylthio)butyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-ethyl-2-(4-phenylsulfanylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-ethyl-2-[4-(phenylthio)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CCN1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S2/c1-3-23-12-11-16-17(14-23)28-20(19(16)21(25)26-2)22-18(24)10-7-13-27-15-8-5-4-6-9-15/h4-6,8-9H,3,7,10-14H2,1-2H3,(H,22,24)