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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CN=CC=C2)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CN=CC=C2)C(=O)OC

InChI

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