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

Systemtic Name: 2-(3-butyl-6-methoxy-2-methyl-quinolin-4-yl)sulfanylethanoic acid Openeye Name: 2-[(3-butyl-6-methoxy-2-methyl-4-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(3-butyl-6-methoxy-2-methyl-4-quinolinyl)thio]acetic acid IUPAC Name: 2-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylacetic acid Traditional Name: 2-[(3-butyl-6-methoxy-2-methyl-4-quinolyl)thio]acetic acid Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO3S/c1-4-5-6-13-11(2)18-15-8-7-12(21-3)9-14(15)17(13)22-10-16(19)20/h7-9H,4-6,10H2,1-3H3,(H,19,20)