(5E)-6,6-dimethyl-3-methylsulfanyl-5-(oxidanylmethylidene)-1-pyridin-3-yl-7H-2-benzothiophen-4-one

Systemtic Name: (5E)-6,6-dimethyl-3-methylsulfanyl-5-(oxidanylmethylidene)-1-pyridin-3-yl-7H-2-benzothiophen-4-one Openeye Name: (5E)-5-(hydroxymethylene)-6,6-dimethyl-3-methylsulfanyl-1-(3-pyridyl)-7H-2-benzothiophen-4-one CAS Name: (5E)-5-(hydroxymethylidene)-6,6-dimethyl-3-(methylthio)-1-(3-pyridinyl)-7H-2-benzothiophen-4-one IUPAC Name: (5E)-5-(hydroxymethylidene)-6,6-dimethyl-3-methylsulfanyl-1-pyridin-3-yl-7H-2-benzothiophen-4-one Traditional Name: (5E)-5-(hydroxymethylene)-6,6-dimethyl-3-(methylthio)-1-(3-pyridyl)-7H-isobenzothiophen-4-one Formula: C17H17NO2S2 MolecularWeight: 331.45238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO2S2/c1-17(2)7-11-13(14(20)12(17)9-19)16(21-3)22-15(11)10-5-4-6-18-8-10/h4-6,8-9,19H,7H2,1-3H3/b12-9-