2-[(E)-[2-(4-methoxyphenyl)chromen-4-ylidene]methyl]-3-methyl-1,3-benzothiazol-3-ium

Systemtic Name: 2-[(E)-[2-(4-methoxyphenyl)chromen-4-ylidene]methyl]-3-methyl-1,3-benzothiazol-3-ium Openeye Name: 2-[(E)-[2-(4-methoxyphenyl)chromen-4-ylidene]methyl]-3-methyl-1,3-benzothiazol-3-ium CAS Name: 2-[(E)-[2-(4-methoxyphenyl)-1-benzopyran-4-ylidene]methyl]-3-methyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[(E)-[2-(4-methoxyphenyl)chromen-4-ylidene]methyl]-3-methyl-1,3-benzothiazol-3-ium Traditional Name: 2-[(E)-[2-(4-methoxyphenyl)chromen-4-ylidene]methyl]-3-methyl-1,3-benzothiazol-3-ium Formula: C25H20NO2S+ MolecularWeight: 398.4968

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C=C3C=C(OC4=CC=CC=C43)C5=CC=C(C=C5)OC

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)/C=C/3\C=C(OC4=CC=CC=C43)C5=CC=C(C=C5)OC

InChI

InChI=1S/C25H20NO2S/c1-26-21-8-4-6-10-24(21)29-25(26)16-18-15-23(17-11-13-19(27-2)14-12-17)28-22-9-5-3-7-20(18)22/h3-16H,1-2H3/q+1/b18-16+