ethanedioic acid; N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide

Systemtic Name: ethanedioic acid; N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide; oxalic acid CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-pyridinecarboxamide; oxalic acid IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide; oxalic acid Traditional Name: N-(2-methyl-1,3-benzothiazol-6-yl)nicotinamide; oxalic acid Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H11N3OS.C2H2O4/c1-9-16-12-5-4-11(7-13(12)19-9)17-14(18)10-3-2-6-15-8-10;3-1(4)2(5)6/h2-8H,1H3,(H,17,18);(H,3,4)(H,5,6)