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

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C18H15NO5S MolecularWeight: 357.3804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3=C(N=CC=C3)SC)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3=C(N=CC=C3)SC)O

InChI

InChI=1S/C18H15NO5S/c1-10-14(20)6-5-12-11(8-15(21)24-16(10)12)9-23-18(22)13-4-3-7-19-17(13)25-2/h3-8,20H,9H2,1-2H3