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

Systemtic Name: 3-ethyl-2-[(E)-(4-methylchromen-2-ylidene)methyl]-1,3-benzothiazol-3-ium Openeye Name: 3-ethyl-2-[(E)-(4-methylchromen-2-ylidene)methyl]-1,3-benzothiazol-3-ium CAS Name: 3-ethyl-2-[(E)-(4-methyl-1-benzopyran-2-ylidene)methyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-ethyl-2-[(E)-(4-methylchromen-2-ylidene)methyl]-1,3-benzothiazol-3-ium Traditional Name: 3-ethyl-2-[(E)-(4-methylchromen-2-ylidene)methyl]-1,3-benzothiazol-3-ium Formula: C20H18NOS+ MolecularWeight: 320.42802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=C3C=C(C4=CC=CC=C4O3)C

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)/C=C/3\C=C(C4=CC=CC=C4O3)C

InChI

InChI=1S/C20H18NOS/c1-3-21-17-9-5-7-11-19(17)23-20(21)13-15-12-14(2)16-8-4-6-10-18(16)22-15/h4-13H,3H2,1-2H3/q+1/b15-13+