5-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)isoindole-1,3-dione

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)isoindole-1,3-dione Openeye Name: 5-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)isoindoline-1,3-dione CAS Name: 5-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)isoindole-1,3-dione IUPAC Name: 5-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)isoindole-1,3-dione Traditional Name: 5-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)isoindoline-1,3-quinone Formula: C22H14N2O3S MolecularWeight: 386.42316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H14N2O3S/c1-27-15-6-4-5-14(12-15)24-21(25)16-10-9-13(11-17(16)22(24)26)20-23-18-7-2-3-8-19(18)28-20/h2-12H,1H3