methyl 2-(3-pyridin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 2-(3-pyridin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate Openeye Name: methyl 2-[3-(2-pyridylsulfanyl)propanoylamino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-3-(2-pyridinylthio)propyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-pyridin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate Traditional Name: 2-[3-(2-pyridylthio)propanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C14H14N2O3S2 MolecularWeight: 322.40256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)NC(=O)CCSC2=CC=CC=N2

Isomeric SMILES

COC(=O)C1=C(SC=C1)NC(=O)CCSC2=CC=CC=N2

InChI

InChI=1S/C14H14N2O3S2/c1-19-14(18)10-5-8-21-13(10)16-11(17)6-9-20-12-4-2-3-7-15-12/h2-5,7-8H,6,9H2,1H3,(H,16,17)