2-[[2-(2-hydroxyethyloxy)-4-methoxy-phenyl]methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[[2-(2-hydroxyethyloxy)-4-methoxy-phenyl]methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[[2-(2-hydroxyethoxy)-4-methoxy-phenyl]methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[[2-(2-hydroxyethoxy)-4-methoxyphenyl]methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[[2-(2-hydroxyethoxy)-4-methoxyphenyl]methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[[2-(2-hydroxyethoxy)-4-methoxy-benzyl]thio]nicotinic acid Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CSC2=C(C=CC=N2)C(=O)O)OCCO

Isomeric SMILES

COC1=CC(=C(C=C1)CSC2=C(C=CC=N2)C(=O)O)OCCO

InChI

InChI=1S/C16H17NO5S/c1-21-12-5-4-11(14(9-12)22-8-7-18)10-23-15-13(16(19)20)3-2-6-17-15/h2-6,9,18H,7-8,10H2,1H3,(H,19,20)