2-(3-phenyl-1,2-benzothiazol-5-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 2-(3-phenyl-1,2-benzothiazol-5-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-(3-phenyl-1,2-benzothiazol-5-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-(3-phenyl-1,2-benzothiazol-5-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-(3-phenyl-1,2-benzothiazol-5-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-(3-phenyl-1,2-benzothiazol-5-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)C3=CC4=C(C=C3)SN=C4C5=CC=CC=C5

Isomeric SMILES

C1CCC2C(C1)C(=O)N(C2=O)C3=CC4=C(C=C3)SN=C4C5=CC=CC=C5

InChI

InChI=1S/C21H18N2O2S/c24-20-15-8-4-5-9-16(15)21(25)23(20)14-10-11-18-17(12-14)19(22-26-18)13-6-2-1-3-7-13/h1-3,6-7,10-12,15-16H,4-5,8-9H2