methyl (1R,3S)-5,7-dimethoxy-6-methyl-8-phenylmethoxy-3-(phenylmethoxymethyl)-1-(phenylsulfanylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl (1R,3S)-5,7-dimethoxy-6-methyl-8-phenylmethoxy-3-(phenylmethoxymethyl)-1-(phenylsulfanylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: methyl (1R,3S)-8-benzyloxy-3-(benzyloxymethyl)-5,7-dimethoxy-6-methyl-1-(phenylsulfanylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (1R,3S)-5,7-dimethoxy-6-methyl-8-phenylmethoxy-3-(phenylmethoxymethyl)-1-[(phenylthio)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl (1R,3S)-5,7-dimethoxy-6-methyl-8-phenylmethoxy-3-(phenylmethoxymethyl)-1-(phenylsulfanylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (1R,3S)-8-benzoxy-3-(benzoxymethyl)-5,7-dimethoxy-6-methyl-1-[(phenylthio)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C36H39NO6S MolecularWeight: 613.76296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(N(C(C2)COCC3=CC=CC=C3)C(=O)OC)CSC4=CC=CC=C4)C(=C1OC)OCC5=CC=CC=C5)OC

Isomeric SMILES

CC1=C(C2=C([C@@H](N([C@@H](C2)COCC3=CC=CC=C3)C(=O)OC)CSC4=CC=CC=C4)C(=C1OC)OCC5=CC=CC=C5)OC

InChI

InChI=1S/C36H39NO6S/c1-25-33(39-2)30-20-28(23-42-21-26-14-8-5-9-15-26)37(36(38)41-4)31(24-44-29-18-12-7-13-19-29)32(30)35(34(25)40-3)43-22-27-16-10-6-11-17-27/h5-19,28,31H,20-24H2,1-4H3/t28-,31-/m0/s1