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

Systemtic Name: (phenylmethyl) 7-oxidanyl-5-(phenylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-6-carboxylate Openeye Name: benzyl 5-benzyl-7-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-6-carboxylate CAS Name: 7-hydroxy-5-(phenylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-benzyl-7-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-6-carboxylate Traditional Name: 5-benzyl-7-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-6-carboxylic acid benzyl ester Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(C(N1CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)O)SC=C2

Isomeric SMILES

C1C2=C(C(C(N1CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)O)SC=C2

InChI

InChI=1S/C22H21NO3S/c24-20-19(22(25)26-15-17-9-5-2-6-10-17)23(13-16-7-3-1-4-8-16)14-18-11-12-27-21(18)20/h1-12,19-20,24H,13-15H2