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

Systemtic Name: methyl (1S,3S)-1-(1-benzothiophen-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Openeye Name: methyl (1S,3S)-1-(benzothiophen-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate CAS Name: (1S,3S)-1-(1-benzothiophen-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (1S,3S)-1-(1-benzothiophen-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Traditional Name: (1S,3S)-1-(benzothiophen-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NC(CC2=C1)C(=O)OC)C3=CSC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N[C@@H](CC2=C1)C(=O)OC)C3=CSC4=CC=CC=C43)OC

InChI

InChI=1S/C21H21NO4S/c1-24-17-9-12-8-16(21(23)26-3)22-20(14(12)10-18(17)25-2)15-11-27-19-7-5-4-6-13(15)19/h4-7,9-11,16,20,22H,8H2,1-3H3/t16-,20-/m0/s1