(2-oxidanylidene-1,2-diphenyl-ethyl) 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: (2-oxidanylidene-1,2-diphenyl-ethyl) 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate Openeye Name: (2-oxo-1,2-diphenyl-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-1,2-diphenylethyl) ester IUPAC Name: (2-oxo-1,2-diphenylethyl) 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 desyl ester Formula: C29H25NO5S2 MolecularWeight: 531.6425

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)OC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C29H25NO5S2/c31-26(35-29(23-13-5-2-6-14-23)28(32)22-11-3-1-4-12-22)20-25-24-15-8-7-10-21(24)17-18-30(25)37(33,34)27-16-9-19-36-27/h1-16,19,25,29H,17-18,20H2