(4-methoxycarbonylphenyl) 2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl) 2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (4-methoxycarbonylphenyl) 2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (4-carbomethoxyphenyl) ester Formula: C22H19NO6S2 MolecularWeight: 457.51936

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H19NO6S2/c1-28-21(24)15-8-10-18(11-9-15)29-22(25)19-13-16-5-2-3-6-17(16)14-23(19)31(26,27)20-7-4-12-30-20/h2-12,19H,13-14H2,1H3