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

Systemtic Name: methyl 6-(phenylmethyl)-2-(4-phenylsulfanylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-benzyl-2-(4-phenylsulfanylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[1-oxo-4-(phenylthio)butyl]amino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-benzyl-2-(4-phenylsulfanylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-benzyl-2-[4-(phenylthio)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C26H28N2O3S2 MolecularWeight: 480.64212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=O)CCCSC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=O)CCCSC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3S2/c1-31-26(30)24-21-14-15-28(17-19-9-4-2-5-10-19)18-22(21)33-25(24)27-23(29)13-8-16-32-20-11-6-3-7-12-20/h2-7,9-12H,8,13-18H2,1H3,(H,27,29)