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

Systemtic Name: 2-[[2-(2-acetyloxyethoxy)-4-methoxy-phenyl]methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[[2-(2-acetoxyethoxy)-4-methoxy-phenyl]methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[[2-(2-acetyloxyethoxy)-4-methoxyphenyl]methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[[2-(2-acetyloxyethoxy)-4-methoxyphenyl]methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[[2-(2-acetoxyethoxy)-4-methoxy-benzyl]thio]nicotinic acid Formula: C18H19NO6S MolecularWeight: 377.41156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOC1=C(C=CC(=C1)OC)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC(=O)OCCOC1=C(C=CC(=C1)OC)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C18H19NO6S/c1-12(20)24-8-9-25-16-10-14(23-2)6-5-13(16)11-26-17-15(18(21)22)4-3-7-19-17/h3-7,10H,8-9,11H2,1-2H3,(H,21,22)