4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one

Systemtic Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C21H22N2O4S/c1-21(2)20(25)22-15-6-3-4-7-16(15)23(21)19(24)13-28-14-8-9-17-18(12-14)27-11-5-10-26-17/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,22,25)