[2-(3-bromophenyl)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C15H12BrNO3S MolecularWeight: 366.22968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C15H12BrNO3S/c1-21-14-12(6-3-7-17-14)15(19)20-9-13(18)10-4-2-5-11(16)8-10/h2-8H,9H2,1H3