ethyl 4-cyano-3-methyl-5-(2-methylpropanoylcarbamothioylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-(2-methylpropanoylcarbamothioylamino)thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-(2-methylpropanoylcarbamothioylamino)thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-(2-methylpropanoylcarbamothioylamino)thiophene-2-carboxylate Traditional Name: 4-cyano-5-(isobutyrylthiocarbamoylamino)-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C14H17N3O3S2 MolecularWeight: 339.43308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C(C)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C(C)C)C#N)C

InChI

InChI=1S/C14H17N3O3S2/c1-5-20-13(19)10-8(4)9(6-15)12(22-10)17-14(21)16-11(18)7(2)3/h7H,5H2,1-4H3,(H2,16,17,18,21)