3-[4-(3,4-dimethoxyphenyl)carbonylthiomorpholin-1-ium-1-yl]-6,7-dimethoxy-4-oxidanylidene-1H-quinolin-2-olate

Systemtic Name: 3-[4-(3,4-dimethoxyphenyl)carbonylthiomorpholin-1-ium-1-yl]-6,7-dimethoxy-4-oxidanylidene-1H-quinolin-2-olate Openeye Name: 3-[4-(3,4-dimethoxybenzoyl)thiomorpholin-1-ium-1-yl]-6,7-dimethoxy-4-oxo-1H-quinolin-2-olate CAS Name: 3-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-thiomorpholin-1-iumyl]-6,7-dimethoxy-4-oxo-1H-quinolin-2-olate IUPAC Name: 3-[4-(3,4-dimethoxybenzoyl)thiomorpholin-1-ium-1-yl]-6,7-dimethoxy-4-oxo-1H-quinolin-2-olate Traditional Name: 4-keto-6,7-dimethoxy-3-(4-veratroylthiomorpholin-1-ium-1-yl)-1H-quinolin-2-olate Formula: C24H26N2O7S MolecularWeight: 486.53744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[S+](CC2)C3=C(NC4=CC(=C(C=C4C3=O)OC)OC)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[S+](CC2)C3=C(NC4=CC(=C(C=C4C3=O)OC)OC)[O-])OC

InChI

InChI=1S/C24H26N2O7S/c1-30-17-6-5-14(11-18(17)31-2)24(29)26-7-9-34(10-8-26)22-21(27)15-12-19(32-3)20(33-4)13-16(15)25-23(22)28/h5-6,11-13H,7-10H2,1-4H3,(H-,25,27,28)