3-(2-hydroxyethylsulfanyl)-6,6-dimethyl-1-pyridin-2-yl-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 3-(2-hydroxyethylsulfanyl)-6,6-dimethyl-1-pyridin-2-yl-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 3-(2-hydroxyethylsulfanyl)-6,6-dimethyl-1-(2-pyridyl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 3-(2-hydroxyethylthio)-6,6-dimethyl-1-(2-pyridinyl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 3-(2-hydroxyethylsulfanyl)-6,6-dimethyl-1-pyridin-2-yl-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 3-(2-hydroxyethylthio)-6,6-dimethyl-1-(2-pyridyl)-5,7-dihydroisobenzothiophen-4-one Formula: C17H19NO2S2 MolecularWeight: 333.46826

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SCCO)C3=CC=CC=N3)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SCCO)C3=CC=CC=N3)C

InChI

InChI=1S/C17H19NO2S2/c1-17(2)9-11-14(13(20)10-17)16(21-8-7-19)22-15(11)12-5-3-4-6-18-12/h3-6,19H,7-10H2,1-2H3