propan-2-yl (2S)-2-acetamido-3-(2-methylquinolin-4-yl)sulfanyl-propanoate

Systemtic Name: propan-2-yl (2S)-2-acetamido-3-(2-methylquinolin-4-yl)sulfanyl-propanoate Openeye Name: isopropyl (2S)-2-acetamido-3-[(2-methyl-4-quinolyl)sulfanyl]propanoate CAS Name: (2S)-2-acetamido-3-[(2-methyl-4-quinolinyl)thio]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S)-2-acetamido-3-(2-methylquinolin-4-yl)sulfanylpropanoate Traditional Name: (2S)-2-acetamido-3-[(2-methyl-4-quinolyl)thio]propionic acid isopropyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)SCC(C(=O)OC(C)C)NC(=O)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)SC[C@H](C(=O)OC(C)C)NC(=O)C

InChI

InChI=1S/C18H22N2O3S/c1-11(2)23-18(22)16(20-13(4)21)10-24-17-9-12(3)19-15-8-6-5-7-14(15)17/h5-9,11,16H,10H2,1-4H3,(H,20,21)/t16-/m1/s1