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

Systemtic Name: methyl (1R,3S)-3-(azidomethyl)-5,7-dimethoxy-6-methyl-8-phenylmethoxy-1-(phenylsulfanylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: methyl (1R,3S)-3-(azidomethyl)-8-benzyloxy-5,7-dimethoxy-6-methyl-1-(phenylsulfanylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (1R,3S)-3-(azidomethyl)-5,7-dimethoxy-6-methyl-8-phenylmethoxy-1-[(phenylthio)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl (1R,3S)-3-(azidomethyl)-5,7-dimethoxy-6-methyl-8-phenylmethoxy-1-(phenylsulfanylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (1R,3S)-3-(azidomethyl)-8-benzoxy-5,7-dimethoxy-6-methyl-1-[(phenylthio)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C29H32N4O5S MolecularWeight: 548.65318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(N(C(C2)CN=[N+]=[N-])C(=O)OC)CSC3=CC=CC=C3)C(=C1OC)OCC4=CC=CC=C4)OC

Isomeric SMILES

CC1=C(C2=C([C@@H](N([C@@H](C2)CN=[N+]=[N-])C(=O)OC)CSC3=CC=CC=C3)C(=C1OC)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C29H32N4O5S/c1-19-26(35-2)23-15-21(16-31-32-30)33(29(34)37-4)24(18-39-22-13-9-6-10-14-22)25(23)28(27(19)36-3)38-17-20-11-7-5-8-12-20/h5-14,21,24H,15-18H2,1-4H3/t21-,24-/m0/s1