methyl 3-(cyanomethylcarbamothioylamino)thiophene-2-carboxylate

Systemtic Name: methyl 3-(cyanomethylcarbamothioylamino)thiophene-2-carboxylate Openeye Name: methyl 3-(cyanomethylcarbamothioylamino)thiophene-2-carboxylate CAS Name: 3-[[(cyanomethylamino)-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(cyanomethylcarbamothioylamino)thiophene-2-carboxylate Traditional Name: 3-(cyanomethylthiocarbamoylamino)thiophene-2-carboxylic acid methyl ester Formula: C9H9N3O2S2 MolecularWeight: 255.31666

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=S)NCC#N

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=S)NCC#N

InChI

InChI=1S/C9H9N3O2S2/c1-14-8(13)7-6(2-5-16-7)12-9(15)11-4-3-10/h2,5H,4H2,1H3,(H2,11,12,15)