3-ethyl-2-[(E)-(4-methylchromen-2-ylidene)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-3-ium

Systemtic Name: 3-ethyl-2-[(E)-(4-methylchromen-2-ylidene)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-3-ium Openeye Name: 3-ethyl-2-[(E)-(4-methylchromen-2-ylidene)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-3-ium CAS Name: 3-ethyl-2-[(E)-(4-methyl-1-benzopyran-2-ylidene)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-3-ium IUPAC Name: 3-ethyl-2-[(E)-(4-methylchromen-2-ylidene)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-3-ium Traditional Name: 3-ethyl-2-[(E)-(4-methylchromen-2-ylidene)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-3-ium Formula: C21H17F3NOS+ MolecularWeight: 388.42599

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=C(C=C2)C(F)(F)F)C=C3C=C(C4=CC=CC=C4O3)C

Isomeric SMILES

CC[N+]1=C(SC2=C1C=C(C=C2)C(F)(F)F)/C=C/3\C=C(C4=CC=CC=C4O3)C

InChI

InChI=1S/C21H17F3NOS/c1-3-25-17-11-14(21(22,23)24)8-9-19(17)27-20(25)12-15-10-13(2)16-6-4-5-7-18(16)26-15/h4-12H,3H2,1-2H3/q+1/b15-12+