2-methyl-2-[4-(pyridin-3-ylmethyl)phenyl]sulfanyl-propanoic acid

Systemtic Name: 2-methyl-2-[4-(pyridin-3-ylmethyl)phenyl]sulfanyl-propanoic acid Openeye Name: 2-methyl-2-[4-(3-pyridylmethyl)phenyl]sulfanyl-propanoic acid CAS Name: 2-methyl-2-[[4-(3-pyridinylmethyl)phenyl]thio]propanoic acid IUPAC Name: 2-methyl-2-[4-(pyridin-3-ylmethyl)phenyl]sulfanylpropanoic acid Traditional Name: 2-methyl-2-[[4-(3-pyridylmethyl)phenyl]thio]propionic acid Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SC1=CC=C(C=C1)CC2=CN=CC=C2

Isomeric SMILES

CC(C)(C(=O)O)SC1=CC=C(C=C1)CC2=CN=CC=C2

InChI

InChI=1S/C16H17NO2S/c1-16(2,15(18)19)20-14-7-5-12(6-8-14)10-13-4-3-9-17-11-13/h3-9,11H,10H2,1-2H3,(H,18,19)