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

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C19H17NO4S MolecularWeight: 355.40758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(N=CC=C3)SC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(N=CC=C3)SC)C

InChI

InChI=1S/C19H17NO4S/c1-11-6-7-14-13(9-16(21)24-17(14)12(11)2)10-23-19(22)15-5-4-8-20-18(15)25-3/h4-9H,10H2,1-3H3