ethyl 4-cyano-3-methyl-5-(3-pyridin-2-ylsulfanylpropanoylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-(3-pyridin-2-ylsulfanylpropanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[3-(2-pyridylsulfanyl)propanoylamino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[1-oxo-3-(2-pyridinylthio)propyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-(3-pyridin-2-ylsulfanylpropanoylamino)thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[3-(2-pyridylthio)propanoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C17H17N3O3S2 MolecularWeight: 375.46518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=CC=CC=N2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=CC=CC=N2)C#N)C

InChI

InChI=1S/C17H17N3O3S2/c1-3-23-17(22)15-11(2)12(10-18)16(25-15)20-13(21)7-9-24-14-6-4-5-8-19-14/h4-6,8H,3,7,9H2,1-2H3,(H,20,21)