2-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(2-methoxycarbonyl-3-furyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(2-methoxycarbonyl-3-furanyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(2-carbomethoxy-3-furyl)methylthio]nicotinic acid Formula: C13H11NO5S MolecularWeight: 293.29514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

COC(=O)C1=C(C=CO1)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C13H11NO5S/c1-18-13(17)10-8(4-6-19-10)7-20-11-9(12(15)16)3-2-5-14-11/h2-6H,7H2,1H3,(H,15,16)