ethyl 4-[[2-[(2,5-dimethylphenyl)methylsulfanylmethyl]-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-6-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[2-[(2,5-dimethylphenyl)methylsulfanylmethyl]-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-6-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(2,5-dimethylphenyl)methylsulfanylmethyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[[(2,5-dimethylphenyl)methylthio]methyl]-3-oxo-2,4-dihydro-1H-quinoxalin-6-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2,5-dimethylphenyl)methylsulfanylmethyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[(2,5-dimethylbenzyl)thio]methyl]-3-keto-2,4-dihydro-1H-quinoxaline-6-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H32N4O4S MolecularWeight: 496.62168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CSCC4=C(C=CC(=C4)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CSCC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C26H32N4O4S/c1-4-34-26(33)30-11-9-29(10-12-30)25(32)19-7-8-21-22(14-19)28-24(31)23(27-21)16-35-15-20-13-17(2)5-6-18(20)3/h5-8,13-14,23,27H,4,9-12,15-16H2,1-3H3,(H,28,31)