3-[(4-methyl-2-methylsulfanyl-1,3-benzothiazol-5-yl)-oxidanyl-methylidene]bicyclo[3.2.1]octane-2,4-dione

Systemtic Name: 3-[(4-methyl-2-methylsulfanyl-1,3-benzothiazol-5-yl)-oxidanyl-methylidene]bicyclo[3.2.1]octane-2,4-dione Openeye Name: 3-[hydroxy-(4-methyl-2-methylsulfanyl-1,3-benzothiazol-5-yl)methylene]bicyclo[3.2.1]octane-2,4-dione CAS Name: 3-[hydroxy-[4-methyl-2-(methylthio)-1,3-benzothiazol-5-yl]methylidene]bicyclo[3.2.1]octane-2,4-dione IUPAC Name: 3-[hydroxy-(4-methyl-2-methylsulfanyl-1,3-benzothiazol-5-yl)methylidene]bicyclo[3.2.1]octane-2,4-dione Traditional Name: 3-[hydroxy-[4-methyl-2-(methylthio)-1,3-benzothiazol-5-yl]methylene]bicyclo[3.2.1]octane-2,4-quinone Formula: C18H17NO3S2 MolecularWeight: 359.46248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)SC)C(=C3C(=O)C4CCC(C4)C3=O)O

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)SC)C(=C3C(=O)C4CCC(C4)C3=O)O

InChI

InChI=1S/C18H17NO3S2/c1-8-11(5-6-12-14(8)19-18(23-2)24-12)17(22)13-15(20)9-3-4-10(7-9)16(13)21/h5-6,9-10,22H,3-4,7H2,1-2H3