5-[(2Z)-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-1,3-benzothiazol-3-yl]pentan-1-olate

Systemtic Name: 5-[(2Z)-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-1,3-benzothiazol-3-yl]pentan-1-olate Openeye Name: 5-[(2Z)-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-1,3-benzothiazol-3-yl]pentan-1-olate CAS Name: 5-[(2Z)-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-1,3-benzothiazol-3-yl]-1-pentanolate IUPAC Name: 5-[(2Z)-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-1,3-benzothiazol-3-yl]pentan-1-olate Traditional Name: 5-[(2Z)-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-1,3-benzothiazol-3-yl]pentan-1-olate Formula: C20H21N3OS2 MolecularWeight: 383.53024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)N=C3N(C4=CC=CC=C4S3)CCCCC[O-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)/N=C\3/N(C4=CC=CC=C4S3)CCCCC[O-]

InChI

InChI=1S/C20H21N3OS2/c1-22-15-9-3-5-11-17(15)25-19(22)21-20-23(13-7-2-8-14-24)16-10-4-6-12-18(16)26-20/h3-6,9-12H,2,7-8,13-14H2,1H3