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

Systemtic Name: ethyl 4-[[2-[(2-methylphenyl)methylsulfanylmethyl]-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-6-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(o-tolylmethylsulfanylmethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[[(2-methylphenyl)methylthio]methyl]-3-oxo-2,4-dihydro-1H-quinoxalin-6-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-methylphenyl)methylsulfanylmethyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-keto-2-[[(2-methylbenzyl)thio]methyl]-2,4-dihydro-1H-quinoxaline-6-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H30N4O4S MolecularWeight: 482.5951

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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=CC=CC=C4C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CSCC4=CC=CC=C4C

InChI

InChI=1S/C25H30N4O4S/c1-3-33-25(32)29-12-10-28(11-13-29)24(31)18-8-9-20-21(14-18)27-23(30)22(26-20)16-34-15-19-7-5-4-6-17(19)2/h4-9,14,22,26H,3,10-13,15-16H2,1-2H3,(H,27,30)