methyl (2S)-4-methylsulfanyl-2-(quinolin-2-ylcarbonylamino)butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-(quinolin-2-ylcarbonylamino)butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-(quinoline-2-carbonylamino)butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo(2-quinolinyl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-(quinoline-2-carbonylamino)butanoate Traditional Name: (2S)-4-(methylthio)-2-(quinaldoylamino)butyric acid methyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=NC2=CC=CC=C2C=C1

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C16H18N2O3S/c1-21-16(20)14(9-10-22-2)18-15(19)13-8-7-11-5-3-4-6-12(11)17-13/h3-8,14H,9-10H2,1-2H3,(H,18,19)/t14-/m0/s1