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

Systemtic Name: 2-[(3-ethoxycarbonylfuran-2-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(3-ethoxycarbonyl-2-furyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(3-ethoxycarbonyl-2-furanyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(3-ethoxycarbonylfuran-2-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(3-carbethoxy-2-furyl)methylthio]nicotinic acid Formula: C14H13NO5S MolecularWeight: 307.32172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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