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

Systemtic Name: methyl (1S,3S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Openeye Name: methyl (1S,3S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate CAS Name: (1S,3S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (1S,3S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Traditional Name: (1S,3S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NC(CC2=C1)C(=O)OC)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N[C@@H](CC2=C1)C(=O)OC)C3=CC=CS3)OC

InChI

InChI=1S/C17H19NO4S/c1-20-13-8-10-7-12(17(19)22-3)18-16(15-5-4-6-23-15)11(10)9-14(13)21-2/h4-6,8-9,12,16,18H,7H2,1-3H3/t12-,16-/m0/s1