methyl 5-ethyl-2-(pyridin-2-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-(pyridin-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-(2-pyridylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(2-pyridinylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-(pyridin-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-ethyl-2-(2-pyridylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C14H15N3O2S2 MolecularWeight: 321.4178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=CC=N2)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=CC=N2)C(=O)OC

InChI

InChI=1S/C14H15N3O2S2/c1-3-9-8-10(13(18)19-2)12(21-9)17-14(20)16-11-6-4-5-7-15-11/h4-8H,3H2,1-2H3,(H2,15,16,17,20)