ethanedioic acid; (6-propan-2-ylpyridin-3-yl)-thiophen-2-yl-methanone

Systemtic Name: ethanedioic acid; (6-propan-2-ylpyridin-3-yl)-thiophen-2-yl-methanone Openeye Name: (6-isopropyl-3-pyridyl)-(2-thienyl)methanone; oxalic acid CAS Name: oxalic acid; (6-propan-2-yl-3-pyridinyl)-thiophen-2-ylmethanone IUPAC Name: oxalic acid; (6-propan-2-ylpyridin-3-yl)-thiophen-2-ylmethanone Traditional Name: (6-isopropyl-3-pyridyl)-(2-thienyl)methanone; oxalic acid Formula: C15H15NO5S MolecularWeight: 321.3483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NOS.C2H2O4/c1-9(2)11-6-5-10(8-14-11)13(15)12-4-3-7-16-12;3-1(4)2(5)6/h3-9H,1-2H3;(H,3,4)(H,5,6)