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

Systemtic Name: 3-[(4-methyl-1,3-benzothiazol-5-yl)-oxidanyl-methylidene]bicyclo[3.2.1]octane-2,4-dione Openeye Name: 3-[hydroxy-(4-methyl-1,3-benzothiazol-5-yl)methylene]bicyclo[3.2.1]octane-2,4-dione CAS Name: 3-[hydroxy-(4-methyl-1,3-benzothiazol-5-yl)methylidene]bicyclo[3.2.1]octane-2,4-dione IUPAC Name: 3-[hydroxy-(4-methyl-1,3-benzothiazol-5-yl)methylidene]bicyclo[3.2.1]octane-2,4-dione Traditional Name: 3-[hydroxy-(4-methyl-1,3-benzothiazol-5-yl)methylene]bicyclo[3.2.1]octane-2,4-quinone Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=CS2)C(=C3C(=O)C4CCC(C4)C3=O)O

Isomeric SMILES

CC1=C(C=CC2=C1N=CS2)C(=C3C(=O)C4CCC(C4)C3=O)O

InChI

InChI=1S/C17H15NO3S/c1-8-11(4-5-12-14(8)18-7-22-12)17(21)13-15(19)9-2-3-10(6-9)16(13)20/h4-5,7,9-10,21H,2-3,6H2,1H3