1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanone Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H23NO3S/c1-15(23)17-7-8-20(25-2)19(11-17)13-26-14-21(24)22-10-9-16-5-3-4-6-18(16)12-22/h3-8,11H,9-10,12-14H2,1-2H3