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

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

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

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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