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

Systemtic Name: ethyl 5-phenyl-2-(pyridin-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-(2-pyridylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[(2-pyridinylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-(pyridin-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-phenyl-2-(2-pyridylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C19H17N3O2S2 MolecularWeight: 383.48718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=CC=N3

InChI

InChI=1S/C19H17N3O2S2/c1-2-24-18(23)14-12-15(13-8-4-3-5-9-13)26-17(14)22-19(25)21-16-10-6-7-11-20-16/h3-12H,2H2,1H3,(H2,20,21,22,25)