4-[2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]ethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one

Systemtic Name: 4-[2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]ethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1-oxoethyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSCC3=CC4=C(C(=C3)Cl)OCCCO4)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSCC3=CC4=C(C(=C3)Cl)OCCCO4)C

InChI

InChI=1S/C22H23ClN2O4S/c1-22(2)21(27)24-16-6-3-4-7-17(16)25(22)19(26)13-30-12-14-10-15(23)20-18(11-14)28-8-5-9-29-20/h3-4,6-7,10-11H,5,8-9,12-13H2,1-2H3,(H,24,27)