6-(5-chloranylthiophen-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

Systemtic Name: 6-(5-chloranylthiophen-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate Openeye Name: 6-(5-chloro-2-thienyl)-3-propyl-isoxazolo[5,4-b]pyridine-4-carboxylate CAS Name: 6-(5-chloro-2-thiophenyl)-3-propyl-4-isoxazolo[5,4-b]pyridinecarboxylate IUPAC Name: 6-(5-chlorothiophen-2-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate Traditional Name: 6-(5-chloro-2-thienyl)-3-propyl-isoxazolo[5,4-b]pyridine-4-carboxylate Formula: C14H10ClN2O3S- MolecularWeight: 321.7588

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC2=C1C(=CC(=N2)C3=CC=C(S3)Cl)C(=O)[O-]

Isomeric SMILES

CCCC1=NOC2=C1C(=CC(=N2)C3=CC=C(S3)Cl)C(=O)[O-]

InChI

InChI=1S/C14H11ClN2O3S/c1-2-3-8-12-7(14(18)19)6-9(16-13(12)20-17-8)10-4-5-11(15)21-10/h4-6H,2-3H2,1H3,(H,18,19)/p-1