ethanedioic acid; pyridin-3-yl(thiophen-2-yl)methanone

Systemtic Name: ethanedioic acid; pyridin-3-yl(thiophen-2-yl)methanone Openeye Name: oxalic acid; 3-pyridyl(2-thienyl)methanone CAS Name: oxalic acid; 3-pyridinyl(thiophen-2-yl)methanone IUPAC Name: oxalic acid; pyridin-3-yl(thiophen-2-yl)methanone Traditional Name: oxalic acid; 3-pyridyl(2-thienyl)methanone Formula: C12H9NO5S MolecularWeight: 279.26856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)C2=CC=CS2.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=CN=C1)C(=O)C2=CC=CS2.C(=O)(C(=O)O)O

InChI

InChI=1S/C10H7NOS.C2H2O4/c12-10(9-4-2-6-13-9)8-3-1-5-11-7-8;3-1(4)2(5)6/h1-7H;(H,3,4)(H,5,6)