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

Systemtic Name: 2-(8-methoxy-2-methyl-3-propyl-quinolin-4-yl)sulfanylethanoate Openeye Name: 2-[(8-methoxy-2-methyl-3-propyl-4-quinolyl)sulfanyl]acetate CAS Name: 2-[(8-methoxy-2-methyl-3-propyl-4-quinolinyl)thio]acetate IUPAC Name: 2-(8-methoxy-2-methyl-3-propylquinolin-4-yl)sulfanylacetate Traditional Name: 2-[(8-methoxy-2-methyl-3-propyl-4-quinolyl)thio]acetate Formula: C16H18NO3S- MolecularWeight: 304.38402

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C(=CC=C2)OC)N=C1C)SCC(=O)[O-]

Isomeric SMILES

CCCC1=C(C2=C(C(=CC=C2)OC)N=C1C)SCC(=O)[O-]

InChI

InChI=1S/C16H19NO3S/c1-4-6-11-10(2)17-15-12(7-5-8-13(15)20-3)16(11)21-9-14(18)19/h5,7-8H,4,6,9H2,1-3H3,(H,18,19)/p-1