4-[2-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]ethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one

Systemtic Name: 4-[2-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]ethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-[2-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[2-[(5-chloro-2-methoxyphenyl)methylthio]-1-oxoethyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-[2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-[2-[(5-chloro-2-methoxy-benzyl)thio]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSCC3=C(C=CC(=C3)Cl)OC)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSCC3=C(C=CC(=C3)Cl)OC)C

InChI

InChI=1S/C20H21ClN2O3S/c1-20(2)19(25)22-15-6-4-5-7-16(15)23(20)18(24)12-27-11-13-10-14(21)8-9-17(13)26-3/h4-10H,11-12H2,1-3H3,(H,22,25)