3-[(3-azanyl-6-butyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]benzoic acid

Systemtic Name: 3-[(3-azanyl-6-butyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]benzoic acid Openeye Name: 3-[(3-amino-6-butyl-thieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid CAS Name: 3-[[(3-amino-6-butyl-2-thieno[2,3-b]pyridinyl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid Traditional Name: 3-[(3-amino-6-butyl-thieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C1)C(=C(S2)C(=O)NC3=CC=CC(=C3)C(=O)O)N

Isomeric SMILES

CCCCC1=NC2=C(C=C1)C(=C(S2)C(=O)NC3=CC=CC(=C3)C(=O)O)N

InChI

InChI=1S/C19H19N3O3S/c1-2-3-6-12-8-9-14-15(20)16(26-18(14)22-12)17(23)21-13-7-4-5-11(10-13)19(24)25/h4-5,7-10H,2-3,6,20H2,1H3,(H,21,23)(H,24,25)