(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C21H15NO4S MolecularWeight: 377.4131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C21H15NO4S/c1-27-20-16(7-4-10-22-20)21(24)25-12-14-11-18(23)26-17-9-8-13-5-2-3-6-15(13)19(14)17/h2-11H,12H2,1H3