ethyl 4-[[2-[(2-fluorophenyl)methylsulfanylmethyl]-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-6-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[2-[(2-fluorophenyl)methylsulfanylmethyl]-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-6-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(2-fluorophenyl)methylsulfanylmethyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[[(2-fluorophenyl)methylthio]methyl]-3-oxo-2,4-dihydro-1H-quinoxalin-6-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-fluorophenyl)methylsulfanylmethyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[(2-fluorobenzyl)thio]methyl]-3-keto-2,4-dihydro-1H-quinoxaline-6-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H27FN4O4S MolecularWeight: 486.558983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CSCC4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CSCC4=CC=CC=C4F

InChI

InChI=1S/C24H27FN4O4S/c1-2-33-24(32)29-11-9-28(10-12-29)23(31)16-7-8-19-20(13-16)27-22(30)21(26-19)15-34-14-17-5-3-4-6-18(17)25/h3-8,13,21,26H,2,9-12,14-15H2,1H3,(H,27,30)