(phenylmethyl) 6,7-dimethoxy-4-phenylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 6,7-dimethoxy-4-phenylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 6,7-dimethoxy-4-phenylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6,7-dimethoxy-4-(phenylthio)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6,7-dimethoxy-4-phenylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6,7-dimethoxy-4-(phenylthio)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(CN(CC2=C1)C(=O)OCC3=CC=CC=C3)SC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(CN(CC2=C1)C(=O)OCC3=CC=CC=C3)SC4=CC=CC=C4)OC

InChI

InChI=1S/C25H25NO4S/c1-28-22-13-19-15-26(25(27)30-17-18-9-5-3-6-10-18)16-24(21(19)14-23(22)29-2)31-20-11-7-4-8-12-20/h3-14,24H,15-17H2,1-2H3