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

Systemtic Name: 5-chloranyl-3-ethyl-2-[(E)-(4-methylchromen-2-ylidene)methyl]-1,3-benzothiazol-3-ium Openeye Name: 5-chloro-3-ethyl-2-[(E)-(4-methylchromen-2-ylidene)methyl]-1,3-benzothiazol-3-ium CAS Name: 5-chloro-3-ethyl-2-[(E)-(4-methyl-1-benzopyran-2-ylidene)methyl]-1,3-benzothiazol-3-ium IUPAC Name: 5-chloro-3-ethyl-2-[(E)-(4-methylchromen-2-ylidene)methyl]-1,3-benzothiazol-3-ium Traditional Name: 5-chloro-3-ethyl-2-[(E)-(4-methylchromen-2-ylidene)methyl]-1,3-benzothiazol-3-ium Formula: C20H17ClNOS+ MolecularWeight: 354.87308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClNOS/c1-3-22-17-11-14(21)8-9-19(17)24-20(22)12-15-10-13(2)16-6-4-5-7-18(16)23-15/h4-12H,3H2,1-2H3/q+1/b15-12+