6-(1,2,3-benzothiadiazol-5-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol

Systemtic Name: 6-(1,2,3-benzothiadiazol-5-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol Openeye Name: 6-(1,2,3-benzothiadiazol-5-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol CAS Name: 6-(1,2,3-benzothiadiazol-5-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol IUPAC Name: 6-(1,2,3-benzothiadiazol-5-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol Traditional Name: 6-(1,2,3-benzothiadiazol-5-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C3CC(CCC3N=C2C4=CC5=C(C=C4)SN=N5)O)OC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C3CC(CCC3N=C2C4=CC5=C(C=C4)SN=N5)O)OC

InChI

InChI=1S/C22H23N3O3S/c1-3-28-20-10-14-15-9-13(26)5-6-17(15)23-22(16(14)11-19(20)27-2)12-4-7-21-18(8-12)24-25-29-21/h4,7-8,10-11,13,15,17,26H,3,5-6,9H2,1-2H3