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

Systemtic Name: methyl 2-(4-phenylsulfanylbutanoylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-isopropyl-2-(4-phenylsulfanylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[1-oxo-4-(phenylthio)butyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-phenylsulfanylbutanoylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-isopropyl-2-[4-(phenylthio)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S2/c1-15(2)24-12-11-17-18(14-24)29-21(20(17)22(26)27-3)23-19(25)10-7-13-28-16-8-5-4-6-9-16/h4-6,8-9,15H,7,10-14H2,1-3H3,(H,23,25)