methyl (1R,3S)-6,7-dimethoxy-1-(2-phenyl-1-benzothiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Systemtic Name: methyl (1R,3S)-6,7-dimethoxy-1-(2-phenyl-1-benzothiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Openeye Name: methyl (1R,3S)-6,7-dimethoxy-1-(2-phenylbenzothiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate CAS Name: (1R,3S)-6,7-dimethoxy-1-(2-phenyl-1-benzothiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (1R,3S)-6,7-dimethoxy-1-(2-phenyl-1-benzothiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Traditional Name: (1R,3S)-6,7-dimethoxy-1-(2-phenylbenzothiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester Formula: C27H25NO4S MolecularWeight: 459.5567

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NC(CC2=C1)C(=O)OC)C3=C(SC4=CC=CC=C43)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2[C@@H](N[C@@H](CC2=C1)C(=O)OC)C3=C(SC4=CC=CC=C43)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H25NO4S/c1-30-21-14-17-13-20(27(29)32-3)28-25(19(17)15-22(21)31-2)24-18-11-7-8-12-23(18)33-26(24)16-9-5-4-6-10-16/h4-12,14-15,20,25,28H,13H2,1-3H3/t20-,25+/m0/s1