2-hexyldecyl 1-oxidanyl-6-sulfanylidene-pyridine-3-carboxylate

Systemtic Name: 2-hexyldecyl 1-oxidanyl-6-sulfanylidene-pyridine-3-carboxylate Openeye Name: 2-hexyldecyl 1-hydroxy-6-thioxo-pyridine-3-carboxylate CAS Name: 1-hydroxy-6-sulfanylidene-3-pyridinecarboxylic acid 2-hexyldecyl ester IUPAC Name: 2-hexyldecyl 1-hydroxy-6-sulfanylidenepyridine-3-carboxylate Traditional Name: 1-hydroxy-6-thioxo-nicotinic acid 2-hexyldecyl ester Formula: C22H37NO3S MolecularWeight: 395.59908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC)COC(=O)C1=CN(C(=S)C=C1)O

Isomeric SMILES

CCCCCCCCC(CCCCCC)COC(=O)C1=CN(C(=S)C=C1)O

InChI

InChI=1S/C22H37NO3S/c1-3-5-7-9-10-12-14-19(13-11-8-6-4-2)18-26-22(24)20-15-16-21(27)23(25)17-20/h15-17,19,25H,3-14,18H2,1-2H3