1-hexyl-4-oxidanylidene-5H-thiochromeno[4,3-b]pyridine-2-carboxylic acid

Systemtic Name: 1-hexyl-4-oxidanylidene-5H-thiochromeno[4,3-b]pyridine-2-carboxylic acid Openeye Name: 1-hexyl-4-oxo-5H-thiochromeno[4,3-b]pyridine-2-carboxylic acid CAS Name: 1-hexyl-4-oxo-5H-thiochromeno[4,3-b]pyridine-2-carboxylic acid IUPAC Name: 1-hexyl-4-oxo-5H-thiochromeno[4,3-b]pyridine-2-carboxylic acid Traditional Name: 1-hexyl-4-keto-5H-thiochromeno[4,3-b]pyridine-2-carboxylic acid Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=CC(=O)C2=C1C3=CC=CC=C3SC2)C(=O)O

Isomeric SMILES

CCCCCCN1C(=CC(=O)C2=C1C3=CC=CC=C3SC2)C(=O)O

InChI

InChI=1S/C19H21NO3S/c1-2-3-4-7-10-20-15(19(22)23)11-16(21)14-12-24-17-9-6-5-8-13(17)18(14)20/h5-6,8-9,11H,2-4,7,10,12H2,1H3,(H,22,23)