7-quinolin-2-yl-2-sulfanyl-heptanoic acid

Systemtic Name: 7-quinolin-2-yl-2-sulfanyl-heptanoic acid Openeye Name: 7-(2-quinolyl)-2-sulfanyl-heptanoic acid CAS Name: 2-mercapto-7-(2-quinolinyl)heptanoic acid IUPAC Name: 7-quinolin-2-yl-2-sulfanylheptanoic acid Traditional Name: 2-mercapto-7-(2-quinolyl)enanthic acid Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)CCCCCC(C(=O)O)S

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)CCCCCC(C(=O)O)S

InChI

InChI=1S/C16H19NO2S/c18-16(19)15(20)9-3-1-2-7-13-11-10-12-6-4-5-8-14(12)17-13/h4-6,8,10-11,15,20H,1-3,7,9H2,(H,18,19)