2-benzamido-3-(2-methylquinolin-4-yl)sulfanyl-propanoic acid

Systemtic Name: 2-benzamido-3-(2-methylquinolin-4-yl)sulfanyl-propanoic acid Openeye Name: 2-benzamido-3-[(2-methyl-4-quinolyl)sulfanyl]propanoic acid CAS Name: 2-benzamido-3-[(2-methyl-4-quinolinyl)thio]propanoic acid IUPAC Name: 2-benzamido-3-(2-methylquinolin-4-yl)sulfanylpropanoic acid Traditional Name: 2-benzamido-3-[(2-methyl-4-quinolyl)thio]propionic acid Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)SCC(C(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)SCC(C(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3S/c1-13-11-18(15-9-5-6-10-16(15)21-13)26-12-17(20(24)25)22-19(23)14-7-3-2-4-8-14/h2-11,17H,12H2,1H3,(H,22,23)(H,24,25)