4-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfanyl]benzoic acid

Systemtic Name: 4-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfanyl]benzoic acid Openeye Name: 4-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfanyl]benzoic acid CAS Name: 4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylthio]benzoic acid IUPAC Name: 4-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]benzoic acid Traditional Name: 4-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylthio]benzoic acid Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H17NO3S/c1-10-8-17-14(11(2)15(10)20-3)9-21-13-6-4-12(5-7-13)16(18)19/h4-8H,9H2,1-3H3,(H,18,19)