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

Systemtic Name: 3-(3-butyl-6-methoxy-2-methyl-quinolin-4-yl)sulfanylpropanoic acid Openeye Name: 3-[(3-butyl-6-methoxy-2-methyl-4-quinolyl)sulfanyl]propanoic acid CAS Name: 3-[(3-butyl-6-methoxy-2-methyl-4-quinolinyl)thio]propanoic acid IUPAC Name: 3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropanoic acid Traditional Name: 3-[(3-butyl-6-methoxy-2-methyl-4-quinolyl)thio]propionic acid Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=CC(=C2)OC)N=C1C)SCCC(=O)O

Isomeric SMILES

CCCCC1=C(C2=C(C=CC(=C2)OC)N=C1C)SCCC(=O)O

InChI

InChI=1S/C18H23NO3S/c1-4-5-6-14-12(2)19-16-8-7-13(22-3)11-15(16)18(14)23-10-9-17(20)21/h7-8,11H,4-6,9-10H2,1-3H3,(H,20,21)