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

Systemtic Name: 3-[(2-ethyl-4-methyl-1,3-benzothiazol-5-yl)-oxidanyl-methylidene]bicyclo[3.2.1]octane-2,4-dione Openeye Name: 3-[(2-ethyl-4-methyl-1,3-benzothiazol-5-yl)-hydroxy-methylene]bicyclo[3.2.1]octane-2,4-dione CAS Name: 3-[(2-ethyl-4-methyl-1,3-benzothiazol-5-yl)-hydroxymethylidene]bicyclo[3.2.1]octane-2,4-dione IUPAC Name: 3-[(2-ethyl-4-methyl-1,3-benzothiazol-5-yl)-hydroxymethylidene]bicyclo[3.2.1]octane-2,4-dione Traditional Name: 3-[(2-ethyl-4-methyl-1,3-benzothiazol-5-yl)-hydroxy-methylene]bicyclo[3.2.1]octane-2,4-quinone Formula: C19H19NO3S MolecularWeight: 341.42406

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(S1)C=CC(=C2C)C(=C3C(=O)C4CCC(C4)C3=O)O

Isomeric SMILES

CCC1=NC2=C(S1)C=CC(=C2C)C(=C3C(=O)C4CCC(C4)C3=O)O

InChI

InChI=1S/C19H19NO3S/c1-3-14-20-16-9(2)12(6-7-13(16)24-14)19(23)15-17(21)10-4-5-11(8-10)18(15)22/h6-7,10-11,23H,3-5,8H2,1-2H3