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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=S)NC2=CN=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=S)NC2=CN=CC=C2)C

InChI

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