2-[(5-methoxycarbonyl-4-methyl-furan-2-yl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(5-methoxycarbonyl-4-methyl-furan-2-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(5-methoxycarbonyl-4-methyl-2-furyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(5-methoxycarbonyl-4-methyl-2-furanyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(5-methoxycarbonyl-4-methylfuran-2-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(5-carbomethoxy-4-methyl-2-furyl)methylthio]nicotinic acid Formula: C14H13NO5S MolecularWeight: 307.32172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)CSC2=C(C=CC=N2)C(=O)O)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)CSC2=C(C=CC=N2)C(=O)O)C(=O)OC

InChI

InChI=1S/C14H13NO5S/c1-8-6-9(20-11(8)14(18)19-2)7-21-12-10(13(16)17)4-3-5-15-12/h3-6H,7H2,1-2H3,(H,16,17)