[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetate Traditional Name: 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid [2-keto-2-(3,4,5-trimethoxyphenyl)ethyl] ester Formula: C26H27NO8S2 MolecularWeight: 545.62448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)CC2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)CC2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C26H27NO8S2/c1-32-22-13-18(14-23(33-2)26(22)34-3)21(28)16-35-24(29)15-20-19-8-5-4-7-17(19)10-11-27(20)37(30,31)25-9-6-12-36-25/h4-9,12-14,20H,10-11,15-16H2,1-3H3