ethyl 5-ethyl-4-methyl-2-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-4-methyl-2-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-4-methyl-2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-4-methyl-2-[[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-4-methyl-2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-4-methyl-2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H22N4O3S2 MolecularWeight: 430.54368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C20H22N4O3S2/c1-4-14-12(3)16(19(26)27-5-2)18(29-14)21-15(25)11-28-20-22-17(23-24-20)13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3,(H,21,25)(H,22,23,24)