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

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

Systemtic Name:4-[(3-methylquinolin-2-yl)-sulfanyl-methyl]benzoic acid
Openeye Name:4-[(3-methyl-2-quinolyl)-sulfanyl-methyl]benzoic acid
CAS Name:4-[mercapto-(3-methyl-2-quinolinyl)methyl]benzoic acid
IUPAC Name:4-[(3-methylquinolin-2-yl)-sulfanylmethyl]benzoic acid
Traditional Name:4-[mercapto-(3-methyl-2-quinolyl)methyl]benzoic acid
Formula: C18H15NO2S
MolecularWeight: 309.3822
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2N=C1C(C3=CC=C(C=C3)C(=O)O)S


Isomeric SMILES

CC1=CC2=CC=CC=C2N=C1C(C3=CC=C(C=C3)C(=O)O)S


InChI

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


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