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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CS2)C(C(N1CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)O

Isomeric SMILES

C1C2=C(C=CS2)C(C(N1CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)O

InChI

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