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

Systemtic Name: methyl (2S)-2-[2-(3-methyl-2H-quinoxalin-1-yl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-(3-methyl-2H-quinoxalin-1-yl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(3-methyl-2H-quinoxalin-1-yl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(3-methyl-2H-quinoxalin-1-yl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(3-methyl-2H-quinoxalin-1-yl)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3S/c1-12-10-20(15-7-5-4-6-13(15)18-12)11-16(21)19-14(8-9-24-3)17(22)23-2/h4-7,14H,8-11H2,1-3H3,(H,19,21)/t14-/m0/s1