(2S)-2-acetamido-3-(8-methoxy-2-methyl-quinolin-4-yl)sulfanyl-propanoic acid

Systemtic Name: (2S)-2-acetamido-3-(8-methoxy-2-methyl-quinolin-4-yl)sulfanyl-propanoic acid Openeye Name: (2S)-2-acetamido-3-[(8-methoxy-2-methyl-4-quinolyl)sulfanyl]propanoic acid CAS Name: (2S)-2-acetamido-3-[(8-methoxy-2-methyl-4-quinolinyl)thio]propanoic acid IUPAC Name: (2S)-2-acetamido-3-(8-methoxy-2-methylquinolin-4-yl)sulfanylpropanoic acid Traditional Name: (2S)-2-acetamido-3-[(8-methoxy-2-methyl-4-quinolyl)thio]propionic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC)C(=C1)SCC(C(=O)O)NC(=O)C

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC)C(=C1)SC[C@H](C(=O)O)NC(=O)C

InChI

InChI=1S/C16H18N2O4S/c1-9-7-14(23-8-12(16(20)21)18-10(2)19)11-5-4-6-13(22-3)15(11)17-9/h4-7,12H,8H2,1-3H3,(H,18,19)(H,20,21)/t12-/m1/s1