2-benzamido-3-(6-ethoxy-2-methyl-quinolin-4-yl)sulfanyl-propanoic acid

Systemtic Name: 2-benzamido-3-(6-ethoxy-2-methyl-quinolin-4-yl)sulfanyl-propanoic acid Openeye Name: 2-benzamido-3-[(6-ethoxy-2-methyl-4-quinolyl)sulfanyl]propanoic acid CAS Name: 2-benzamido-3-[(6-ethoxy-2-methyl-4-quinolinyl)thio]propanoic acid IUPAC Name: 2-benzamido-3-(6-ethoxy-2-methylquinolin-4-yl)sulfanylpropanoic acid Traditional Name: 2-benzamido-3-[(6-ethoxy-2-methyl-4-quinolyl)thio]propionic acid Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C=C2SCC(C(=O)O)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C=C2SCC(C(=O)O)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H22N2O4S/c1-3-28-16-9-10-18-17(12-16)20(11-14(2)23-18)29-13-19(22(26)27)24-21(25)15-7-5-4-6-8-15/h4-12,19H,3,13H2,1-2H3,(H,24,25)(H,26,27)