methyl (2S)-2-[2-(3-methyl-2-oxidanylidene-quinoxalin-1-yl)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[2-(3-methyl-2-oxidanylidene-quinoxalin-1-yl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-(3-methyl-2-oxo-quinoxalin-1-yl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(3-methyl-2-oxo-1-quinoxalinyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(2-keto-3-methyl-quinoxalin-1-yl)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N(C1=O)CC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2N(C1=O)CC(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C17H21N3O4S/c1-11-16(22)20(14-7-5-4-6-12(14)18-11)10-15(21)19-13(8-9-25-3)17(23)24-2/h4-7,13H,8-10H2,1-3H3,(H,19,21)/t13-/m0/s1