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

Systemtic Name: ethyl 6-(phenylmethyl)-2-(4-phenylsulfanylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H30N2O3S2 MolecularWeight: 494.6687

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O3S2/c1-2-32-27(31)25-22-15-16-29(18-20-10-5-3-6-11-20)19-23(22)34-26(25)28-24(30)14-9-17-33-21-12-7-4-8-13-21/h3-8,10-13H,2,9,14-19H2,1H3,(H,28,30)