methyl (2S)-2-[(2-cyclopropylquinolin-4-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[(2-cyclopropylquinolin-4-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-cyclopropyl-4-quinolinyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC(=NC2=CC=CC=C21)C3CC3

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC(=NC2=CC=CC=C21)C3CC3

InChI

InChI=1S/C19H22N2O3S/c1-24-19(23)16(9-10-25-2)21-18(22)14-11-17(12-7-8-12)20-15-6-4-3-5-13(14)15/h3-6,11-12,16H,7-10H2,1-2H3,(H,21,22)/t16-/m0/s1