2-(4-ethanoylpiperazin-1-yl)-5-(thiophen-2-ylcarbonylamino)pyridine-3-carboxylic acid

Systemtic Name: 2-(4-ethanoylpiperazin-1-yl)-5-(thiophen-2-ylcarbonylamino)pyridine-3-carboxylic acid Openeye Name: 2-(4-acetylpiperazin-1-yl)-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid CAS Name: 2-(4-acetyl-1-piperazinyl)-5-[[oxo(thiophen-2-yl)methyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-acetylpiperazin-1-yl)-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid Traditional Name: 2-(4-acetylpiperazino)-5-(2-thenoylamino)nicotinic acid Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=NC=C(C=C2C(=O)O)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=NC=C(C=C2C(=O)O)NC(=O)C3=CC=CS3

InChI

InChI=1S/C17H18N4O4S/c1-11(22)20-4-6-21(7-5-20)15-13(17(24)25)9-12(10-18-15)19-16(23)14-3-2-8-26-14/h2-3,8-10H,4-7H2,1H3,(H,19,23)(H,24,25)