3-(8-phenylsulfanyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)cyclohex-2-en-1-one

Systemtic Name: 3-(8-phenylsulfanyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)cyclohex-2-en-1-one Openeye Name: 3-(8-phenylsulfanyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)cyclohex-2-en-1-one CAS Name: 3-[8-(phenylthio)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl]-1-cyclohex-2-enone IUPAC Name: 3-(8-phenylsulfanyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)cyclohex-2-en-1-one Traditional Name: 3-[8-(phenylthio)-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-6-yl]cyclohex-2-en-1-one Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=O)C1)N2CC(C3=CC4=C(C=C3C2)OCO4)SC5=CC=CC=C5

Isomeric SMILES

C1CC(=CC(=O)C1)N2CC(C3=CC4=C(C=C3C2)OCO4)SC5=CC=CC=C5

InChI

InChI=1S/C22H21NO3S/c24-17-6-4-5-16(10-17)23-12-15-9-20-21(26-14-25-20)11-19(15)22(13-23)27-18-7-2-1-3-8-18/h1-3,7-11,22H,4-6,12-14H2