6,6-dimethyl-3-phenylsulfanyl-1-pyrrolidin-1-ylcarbonyl-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 6,6-dimethyl-3-phenylsulfanyl-1-pyrrolidin-1-ylcarbonyl-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 6,6-dimethyl-3-phenylsulfanyl-1-(pyrrolidine-1-carbonyl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-1-[oxo(1-pyrrolidinyl)methyl]-3-(phenylthio)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 6,6-dimethyl-3-phenylsulfanyl-1-(pyrrolidine-1-carbonyl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 6,6-dimethyl-3-(phenylthio)-1-(pyrrolidine-1-carbonyl)-5,7-dihydroisobenzothiophen-4-one Formula: C21H23NO2S2 MolecularWeight: 385.54282

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SC3=CC=CC=C3)C(=O)N4CCCC4)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SC3=CC=CC=C3)C(=O)N4CCCC4)C

InChI

InChI=1S/C21H23NO2S2/c1-21(2)12-15-17(16(23)13-21)20(25-14-8-4-3-5-9-14)26-18(15)19(24)22-10-6-7-11-22/h3-5,8-9H,6-7,10-13H2,1-2H3