1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]ethanone Formula: C21H23NO3S2 MolecularWeight: 401.54222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H23NO3S2/c1-24-19-12-16(21-26-10-11-27-21)6-7-18(19)25-14-20(23)22-9-8-15-4-2-3-5-17(15)13-22/h2-7,12,21H,8-11,13-14H2,1H3