methyl 4-bromanyl-3-(3-pyridin-2-ylpropoxy)thiophene-2-carboxylate

Systemtic Name: methyl 4-bromanyl-3-(3-pyridin-2-ylpropoxy)thiophene-2-carboxylate Openeye Name: methyl 4-bromo-3-[3-(2-pyridyl)propoxy]thiophene-2-carboxylate CAS Name: 4-bromo-3-[3-(2-pyridinyl)propoxy]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-bromo-3-(3-pyridin-2-ylpropoxy)thiophene-2-carboxylate Traditional Name: 4-bromo-3-[3-(2-pyridyl)propoxy]thiophene-2-carboxylic acid methyl ester Formula: C14H14BrNO3S MolecularWeight: 356.23486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CS1)Br)OCCCC2=CC=CC=N2

Isomeric SMILES

COC(=O)C1=C(C(=CS1)Br)OCCCC2=CC=CC=N2

InChI

InChI=1S/C14H14BrNO3S/c1-18-14(17)13-12(11(15)9-20-13)19-8-4-6-10-5-2-3-7-16-10/h2-3,5,7,9H,4,6,8H2,1H3