methyl (2S)-4-methylsulfanyl-2-(quinoxalin-6-ylcarbamoylamino)butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-(quinoxalin-6-ylcarbamoylamino)butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-(quinoxalin-6-ylcarbamoylamino)butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-(6-quinoxalinylamino)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-(quinoxalin-6-ylcarbamoylamino)butanoate Traditional Name: (2S)-4-(methylthio)-2-(quinoxalin-6-ylcarbamoylamino)butyric acid methyl ester Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)NC1=CC2=NC=CN=C2C=C1

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)NC1=CC2=NC=CN=C2C=C1

InChI

InChI=1S/C15H18N4O3S/c1-22-14(20)12(5-8-23-2)19-15(21)18-10-3-4-11-13(9-10)17-7-6-16-11/h3-4,6-7,9,12H,5,8H2,1-2H3,(H2,18,19,21)/t12-/m0/s1