(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 3,4-dimethyl-2-oxidanylidene-1,3-benzothiazole-5-carboxylate

Systemtic Name: (5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 3,4-dimethyl-2-oxidanylidene-1,3-benzothiazole-5-carboxylate Openeye Name: (5,5-dimethyl-3-oxo-cyclohexen-1-yl) 3,4-dimethyl-2-oxo-1,3-benzothiazole-5-carboxylate CAS Name: 3,4-dimethyl-2-oxo-1,3-benzothiazole-5-carboxylic acid (5,5-dimethyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (5,5-dimethyl-3-oxocyclohexen-1-yl) 3,4-dimethyl-2-oxo-1,3-benzothiazole-5-carboxylate Traditional Name: 2-keto-3,4-dimethyl-1,3-benzothiazole-5-carboxylic acid (3-keto-5,5-dimethyl-cyclohexen-1-yl) ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N(C(=O)S2)C)C(=O)OC3=CC(=O)CC(C3)(C)C

Isomeric SMILES

CC1=C(C=CC2=C1N(C(=O)S2)C)C(=O)OC3=CC(=O)CC(C3)(C)C

InChI

InChI=1S/C18H19NO4S/c1-10-13(5-6-14-15(10)19(4)17(22)24-14)16(21)23-12-7-11(20)8-18(2,3)9-12/h5-7H,8-9H2,1-4H3