6-[(5-butyl-3-carboxy-thiophen-2-yl)amino]pyridine-3-carboxylic acid

Systemtic Name: 6-[(5-butyl-3-carboxy-thiophen-2-yl)amino]pyridine-3-carboxylic acid Openeye Name: 6-[(5-butyl-3-carboxy-2-thienyl)amino]pyridine-3-carboxylic acid CAS Name: 6-[(5-butyl-3-carboxy-2-thiophenyl)amino]-3-pyridinecarboxylic acid IUPAC Name: 6-[(5-butyl-3-carboxythiophen-2-yl)amino]pyridine-3-carboxylic acid Traditional Name: 6-[(5-butyl-3-carboxy-2-thienyl)amino]nicotinic acid Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(S1)NC2=NC=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=CC(=C(S1)NC2=NC=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C15H16N2O4S/c1-2-3-4-10-7-11(15(20)21)13(22-10)17-12-6-5-9(8-16-12)14(18)19/h5-8H,2-4H2,1H3,(H,16,17)(H,18,19)(H,20,21)