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2-[(4-methyl-2-methylsulfanyl-1,3-benzothiazol-5-yl)-oxidanyl-methylidene]cyclohexane-1,3-dione

2-[(4-methyl-2-methylsulfanyl-1,3-benzothiazol-5-yl)-oxidanyl-methylidene]cyclohexane-1,3-dione

Systemtic Name:2-[(4-methyl-2-methylsulfanyl-1,3-benzothiazol-5-yl)-oxidanyl-methylidene]cyclohexane-1,3-dione
Openeye Name:2-[hydroxy-(4-methyl-2-methylsulfanyl-1,3-benzothiazol-5-yl)methylene]cyclohexane-1,3-dione
CAS Name:2-[hydroxy-[4-methyl-2-(methylthio)-1,3-benzothiazol-5-yl]methylidene]cyclohexane-1,3-dione
IUPAC Name:2-[hydroxy-(4-methyl-2-methylsulfanyl-1,3-benzothiazol-5-yl)methylidene]cyclohexane-1,3-dione
Traditional Name:2-[hydroxy-[4-methyl-2-(methylthio)-1,3-benzothiazol-5-yl]methylene]cyclohexane-1,3-quinone
Formula: C16H15NO3S2
MolecularWeight: 333.4252
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)SC)C(=C3C(=O)CCCC3=O)O


Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)SC)C(=C3C(=O)CCCC3=O)O


InChI

InChI=1S/C16H15NO3S2/c1-8-9(6-7-12-14(8)17-16(21-2)22-12)15(20)13-10(18)4-3-5-11(13)19/h6-7,20H,3-5H2,1-2H3


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