(5E)-6,6-dimethyl-5-(oxidanylmethylidene)-3-phenylsulfanyl-1-pyrrolidin-1-ylcarbonyl-7H-2-benzothiophen-4-one

Systemtic Name: (5E)-6,6-dimethyl-5-(oxidanylmethylidene)-3-phenylsulfanyl-1-pyrrolidin-1-ylcarbonyl-7H-2-benzothiophen-4-one Openeye Name: (5E)-5-(hydroxymethylene)-6,6-dimethyl-3-phenylsulfanyl-1-(pyrrolidine-1-carbonyl)-7H-2-benzothiophen-4-one CAS Name: (5E)-5-(hydroxymethylidene)-6,6-dimethyl-1-[oxo(1-pyrrolidinyl)methyl]-3-(phenylthio)-7H-2-benzothiophen-4-one IUPAC Name: (5E)-5-(hydroxymethylidene)-6,6-dimethyl-3-phenylsulfanyl-1-(pyrrolidine-1-carbonyl)-7H-2-benzothiophen-4-one Traditional Name: (5E)-5-(hydroxymethylene)-6,6-dimethyl-3-(phenylthio)-1-(pyrrolidine-1-carbonyl)-7H-isobenzothiophen-4-one Formula: C22H23NO3S2 MolecularWeight: 413.55292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC\1(CC2=C(SC(=C2C(=O)/C1=C/O)SC3=CC=CC=C3)C(=O)N4CCCC4)C

InChI

InChI=1S/C22H23NO3S2/c1-22(2)12-15-17(18(25)16(22)13-24)21(27-14-8-4-3-5-9-14)28-19(15)20(26)23-10-6-7-11-23/h3-5,8-9,13,24H,6-7,10-12H2,1-2H3/b16-13-