3-(6-methoxy-2-methyl-3-propyl-quinolin-4-yl)sulfanylpropanoic acid

Systemtic Name: 3-(6-methoxy-2-methyl-3-propyl-quinolin-4-yl)sulfanylpropanoic acid Openeye Name: 3-[(6-methoxy-2-methyl-3-propyl-4-quinolyl)sulfanyl]propanoic acid CAS Name: 3-[(6-methoxy-2-methyl-3-propyl-4-quinolinyl)thio]propanoic acid IUPAC Name: 3-(6-methoxy-2-methyl-3-propylquinolin-4-yl)sulfanylpropanoic acid Traditional Name: 3-[(6-methoxy-2-methyl-3-propyl-4-quinolyl)thio]propionic acid Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C=CC(=C2)OC)N=C1C)SCCC(=O)O

Isomeric SMILES

CCCC1=C(C2=C(C=CC(=C2)OC)N=C1C)SCCC(=O)O

InChI

InChI=1S/C17H21NO3S/c1-4-5-13-11(2)18-15-7-6-12(21-3)10-14(15)17(13)22-9-8-16(19)20/h6-7,10H,4-5,8-9H2,1-3H3,(H,19,20)