4-[2-[(2,5-dimethoxyphenyl)methylsulfanyl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one

Systemtic Name: 4-[2-[(2,5-dimethoxyphenyl)methylsulfanyl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-[2-[(2,5-dimethoxyphenyl)methylsulfanyl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[2-[(2,5-dimethoxyphenyl)methylthio]-1-oxopropyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-[2-[(2,5-dimethoxyphenyl)methylsulfanyl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-[2-[(2,5-dimethoxybenzyl)thio]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)SCC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC(C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)SCC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H26N2O4S/c1-14(29-13-15-12-16(27-4)10-11-19(15)28-5)20(25)24-18-9-7-6-8-17(18)23-21(26)22(24,2)3/h6-12,14H,13H2,1-5H3,(H,23,26)