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

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[(2-propan-2-ylquinolin-4-yl)carbonylamino]butanoate Openeye Name: methyl (2S)-2-[(2-isopropylquinoline-4-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-(2-propan-2-yl-4-quinolinyl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[(2-propan-2-ylquinoline-4-carbonyl)amino]butanoate Traditional Name: (2S)-2-[(2-isopropylquinoline-4-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C19H24N2O3S/c1-12(2)17-11-14(13-7-5-6-8-15(13)20-17)18(22)21-16(9-10-25-4)19(23)24-3/h5-8,11-12,16H,9-10H2,1-4H3,(H,21,22)/t16-/m0/s1