4-[(3-methylquinolin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(3-methylquinolin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(3-methyl-2-quinolyl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(3-methyl-2-quinolinyl)thio]methyl]benzoic acid IUPAC Name: 4-[(3-methylquinolin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(3-methyl-2-quinolyl)thio]methyl]benzoic acid Formula: C18H15NO2S MolecularWeight: 309.3822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H15NO2S/c1-12-10-15-4-2-3-5-16(15)19-17(12)22-11-13-6-8-14(9-7-13)18(20)21/h2-10H,11H2,1H3,(H,20,21)