2-[(Z)-(3-methoxy-5,5-dimethyl-cyclohex-2-en-1-ylidene)methyl]-3-methyl-2H-1,3-benzothiazole; methyl sulfate

Systemtic Name: 2-[(Z)-(3-methoxy-5,5-dimethyl-cyclohex-2-en-1-ylidene)methyl]-3-methyl-2H-1,3-benzothiazole; methyl sulfate Openeye Name: 2-[(Z)-(3-methoxy-5,5-dimethyl-cyclohex-2-en-1-ylidene)methyl]-3-methyl-2H-1,3-benzothiazole; methyl sulfate CAS Name: 2-[(Z)-(3-methoxy-5,5-dimethyl-1-cyclohex-2-enylidene)methyl]-3-methyl-2H-1,3-benzothiazole; methyl sulfate IUPAC Name: 2-[(Z)-(3-methoxy-5,5-dimethylcyclohex-2-en-1-ylidene)methyl]-3-methyl-2H-1,3-benzothiazole; methyl sulfate Traditional Name: 2-[(Z)-(3-methoxy-5,5-dimethyl-cyclohex-2-en-1-ylidene)methyl]-3-methyl-2H-1,3-benzothiazole; methyl sulfate Formula: C19H26NO5S2- MolecularWeight: 412.54344

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=CC2N(C3=CC=CC=C3S2)C)C1)OC)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1(CC(=C/C(=C\C2N(C3=CC=CC=C3S2)C)/C1)OC)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C18H23NOS.CH4O4S/c1-18(2)11-13(9-14(12-18)20-4)10-17-19(3)15-7-5-6-8-16(15)21-17;1-5-6(2,3)4/h5-10,17H,11-12H2,1-4H3;1H3,(H,2,3,4)/p-1/b13-10+;