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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C18H15NO4S MolecularWeight: 341.381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C18H15NO4S/c1-11-5-6-13-12(9-16(20)23-15(13)8-11)10-22-18(21)14-4-3-7-19-17(14)24-2/h3-9H,10H2,1-2H3