(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C19H17NO5S MolecularWeight: 371.40698

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=C(N=CC=C3)SC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=C(N=CC=C3)SC)O

InChI

InChI=1S/C19H17NO5S/c1-3-11-7-14-12(8-17(22)25-16(14)9-15(11)21)10-24-19(23)13-5-4-6-20-18(13)26-2/h4-9,21H,3,10H2,1-2H3