1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4,5-diphenyloxazol-2-yl)sulfanyl-ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4,5-diphenyl-2-oxazolyl)thio]ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4,5-diphenyloxazol-2-yl)thio]ethanone Formula: C28H26N2O4S MolecularWeight: 486.58204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H26N2O4S/c1-32-23-15-21-13-14-30(17-22(21)16-24(23)33-2)25(31)18-35-28-29-26(19-9-5-3-6-10-19)27(34-28)20-11-7-4-8-12-20/h3-12,15-16H,13-14,17-18H2,1-2H3