2-[(2,4,5-trimethoxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(2,4,5-trimethoxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(2,4,5-trimethoxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(2,4,5-trimethoxyphenyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(2,4,5-trimethoxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(2,4,5-trimethoxybenzyl)thio]nicotinic acid Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CSC2=C(C=CC=N2)C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CSC2=C(C=CC=N2)C(=O)O)OC)OC

InChI

InChI=1S/C16H17NO5S/c1-20-12-8-14(22-3)13(21-2)7-10(12)9-23-15-11(16(18)19)5-4-6-17-15/h4-8H,9H2,1-3H3,(H,18,19)