3-(2,7-dimethoxy-4-phenyl-1,4-thiazepan-5-yl)-2-oxidanyl-1H-quinolin-4-one

Systemtic Name: 3-(2,7-dimethoxy-4-phenyl-1,4-thiazepan-5-yl)-2-oxidanyl-1H-quinolin-4-one Openeye Name: 3-(2,7-dimethoxy-4-phenyl-1,4-thiazepan-5-yl)-2-hydroxy-1H-quinolin-4-one CAS Name: 3-(2,7-dimethoxy-4-phenyl-1,4-thiazepan-5-yl)-2-hydroxy-1H-quinolin-4-one IUPAC Name: 3-(2,7-dimethoxy-4-phenyl-1,4-thiazepan-5-yl)-2-hydroxy-1H-quinolin-4-one Traditional Name: 3-(2,7-dimethoxy-4-phenyl-1,4-thiazepan-5-yl)-2-hydroxy-4-quinolone Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(CC(S1)OC)C2=CC=CC=C2)C3=C(NC4=CC=CC=C4C3=O)O

Isomeric SMILES

COC1CC(N(CC(S1)OC)C2=CC=CC=C2)C3=C(NC4=CC=CC=C4C3=O)O

InChI

InChI=1S/C22H24N2O4S/c1-27-18-12-17(20-21(25)15-10-6-7-11-16(15)23-22(20)26)24(13-19(28-2)29-18)14-8-4-3-5-9-14/h3-11,17-19H,12-13H2,1-2H3,(H2,23,25,26)