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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5S4

InChI

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