3-(8-methoxy-2-methyl-3-propyl-quinolin-4-yl)sulfanylpropanoic acid

Systemtic Name: 3-(8-methoxy-2-methyl-3-propyl-quinolin-4-yl)sulfanylpropanoic acid Openeye Name: 3-[(8-methoxy-2-methyl-3-propyl-4-quinolyl)sulfanyl]propanoic acid CAS Name: 3-[(8-methoxy-2-methyl-3-propyl-4-quinolinyl)thio]propanoic acid IUPAC Name: 3-(8-methoxy-2-methyl-3-propylquinolin-4-yl)sulfanylpropanoic acid Traditional Name: 3-[(8-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/c1-4-6-12-11(2)18-16-13(7-5-8-14(16)21-3)17(12)22-10-9-15(19)20/h5,7-8H,4,6,9-10H2,1-3H3,(H,19,20)