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

Systemtic Name: (2-naphthalen-1-yl-2-oxidanylidene-ethyl) 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-(1-naphthyl)-2-oxo-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-(1-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-1-yl-2-oxoethyl) 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-(1-naphthyl)ethyl] ester Formula: C27H23NO5S2 MolecularWeight: 505.60522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)C3=CC=CC4=CC=CC=C43)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)C3=CC=CC4=CC=CC=C43)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C27H23NO5S2/c29-25(23-12-5-9-19-7-1-3-10-21(19)23)18-33-26(30)17-24-22-11-4-2-8-20(22)14-15-28(24)35(31,32)27-13-6-16-34-27/h1-13,16,24H,14-15,17-18H2