ethyl 4-cyano-3-methyl-5-[2-(2H-1,2,3-triazol-4-ylsulfanyl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-(2H-1,2,3-triazol-4-ylsulfanyl)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[2-(2H-triazol-4-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[1-oxo-2-(2H-triazol-4-ylthio)ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[2-(2H-triazol-4-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-(2H-triazol-4-ylthio)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C13H13N5O3S2 MolecularWeight: 351.40402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NNN=C2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NNN=C2)C#N)C

InChI

InChI=1S/C13H13N5O3S2/c1-3-21-13(20)11-7(2)8(4-14)12(23-11)16-9(19)6-22-10-5-15-18-17-10/h5H,3,6H2,1-2H3,(H,16,19)(H,15,17,18)