[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C1=CC2=C(C=C1)N=C(C(=N2)C)C

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)COC(=O)C1=CC2=C(C=C1)N=C(C(=N2)C)C

InChI

InChI=1S/C18H22N4O4/c1-5-10(2)19-18(25)22-16(23)9-26-17(24)13-6-7-14-15(8-13)21-12(4)11(3)20-14/h6-8,10H,5,9H2,1-4H3,(H2,19,22,23,25)/t10-/m0/s1