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

Systemtic Name: 6,6-dimethyl-3-(3-oxidanylpropylsulfanyl)-1-(1,3-thiazol-2-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 3-(3-hydroxypropylsulfanyl)-6,6-dimethyl-1-thiazol-2-yl-5,7-dihydro-2-benzothiophen-4-one CAS Name: 3-(3-hydroxypropylthio)-6,6-dimethyl-1-(2-thiazolyl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 3-(3-hydroxypropylsulfanyl)-6,6-dimethyl-1-(1,3-thiazol-2-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 3-(3-hydroxypropylthio)-6,6-dimethyl-1-thiazol-2-yl-5,7-dihydroisobenzothiophen-4-one Formula: C16H19NO2S3 MolecularWeight: 353.52256

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SCCCO)C3=NC=CS3)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SCCCO)C3=NC=CS3)C

InChI

InChI=1S/C16H19NO2S3/c1-16(2)8-10-12(11(19)9-16)15(21-6-3-5-18)22-13(10)14-17-4-7-20-14/h4,7,18H,3,5-6,8-9H2,1-2H3