3-ethyl-5-methoxy-2-[(E)-(4-methylchromen-2-ylidene)methyl]-2H-1,3-benzothiazole iodide

Systemtic Name: 3-ethyl-5-methoxy-2-[(E)-(4-methylchromen-2-ylidene)methyl]-2H-1,3-benzothiazole iodide Openeye Name: 3-ethyl-5-methoxy-2-[(E)-(4-methylchromen-2-ylidene)methyl]-2H-1,3-benzothiazole iodide CAS Name: 3-ethyl-5-methoxy-2-[(E)-(4-methyl-1-benzopyran-2-ylidene)methyl]-2H-1,3-benzothiazole iodide IUPAC Name: 3-ethyl-5-methoxy-2-[(E)-(4-methylchromen-2-ylidene)methyl]-2H-1,3-benzothiazole iodide Traditional Name: 3-ethyl-5-methoxy-2-[(E)-(4-methylchromen-2-ylidene)methyl]-2H-1,3-benzothiazole iodide Formula: C21H21INO2S- MolecularWeight: 478.36641

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(SC2=C1C=C(C=C2)OC)C=C3C=C(C4=CC=CC=C4O3)C.[I-]

Isomeric SMILES

CCN1C(SC2=C1C=C(C=C2)OC)/C=C/3\C=C(C4=CC=CC=C4O3)C.[I-]

InChI

InChI=1S/C21H21NO2S.HI/c1-4-22-18-12-15(23-3)9-10-20(18)25-21(22)13-16-11-14(2)17-7-5-6-8-19(17)24-16;/h5-13,21H,4H2,1-3H3;1H/p-1/b16-13+;