2-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C22H18N2O2S MolecularWeight: 374.45552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)N4C(=O)C5CC=CCC5C4=O

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)N4C(=O)C5CC=CCC5C4=O

InChI

InChI=1S/C22H18N2O2S/c1-13-6-11-19-18(12-13)23-20(27-19)14-7-9-15(10-8-14)24-21(25)16-4-2-3-5-17(16)22(24)26/h2-3,6-12,16-17H,4-5H2,1H3