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

Systemtic Name: 3-[(2-cyclopropyl-4-methyl-1,3-benzothiazol-5-yl)-oxidanyl-methylidene]bicyclo[3.2.1]octane-2,4-dione Openeye Name: 3-[(2-cyclopropyl-4-methyl-1,3-benzothiazol-5-yl)-hydroxy-methylene]bicyclo[3.2.1]octane-2,4-dione CAS Name: 3-[(2-cyclopropyl-4-methyl-1,3-benzothiazol-5-yl)-hydroxymethylidene]bicyclo[3.2.1]octane-2,4-dione IUPAC Name: 3-[(2-cyclopropyl-4-methyl-1,3-benzothiazol-5-yl)-hydroxymethylidene]bicyclo[3.2.1]octane-2,4-dione Traditional Name: 3-[(2-cyclopropyl-4-methyl-1,3-benzothiazol-5-yl)-hydroxy-methylene]bicyclo[3.2.1]octane-2,4-quinone Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)C3CC3)C(=C4C(=O)C5CCC(C5)C4=O)O

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)C3CC3)C(=C4C(=O)C5CCC(C5)C4=O)O

InChI

InChI=1S/C20H19NO3S/c1-9-13(6-7-14-16(9)21-20(25-14)10-2-3-10)19(24)15-17(22)11-4-5-12(8-11)18(15)23/h6-7,10-12,24H,2-5,8H2,1H3