1-[(4,5-dimethoxy-2-nitro-phenyl)-(1,3-dithiolan-2-ylidene)methyl]-6,7-dimethoxy-isoquinoline

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)-(1,3-dithiolan-2-ylidene)methyl]-6,7-dimethoxy-isoquinoline Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)-(1,3-dithiolan-2-ylidene)methyl]-6,7-dimethoxy-isoquinoline CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)-(1,3-dithiolan-2-ylidene)methyl]-6,7-dimethoxyisoquinoline IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)-(1,3-dithiolan-2-ylidene)methyl]-6,7-dimethoxyisoquinoline Traditional Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)-(1,3-dithiolan-2-ylidene)methyl]-6,7-dimethoxy-isoquinoline Formula: C23H22N2O6S2 MolecularWeight: 486.56058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2C(=C3SCCS3)C4=CC(=C(C=C4[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2C(=C3SCCS3)C4=CC(=C(C=C4[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C23H22N2O6S2/c1-28-17-9-13-5-6-24-22(14(13)10-18(17)29-2)21(23-32-7-8-33-23)15-11-19(30-3)20(31-4)12-16(15)25(26)27/h5-6,9-12H,7-8H2,1-4H3