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

Systemtic Name: ethyl 4-cyano-5-(2,2-dimethylpropanoylcarbamothioylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-(2,2-dimethylpropanoylcarbamothioylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-(2,2-dimethylpropanoylcarbamothioylamino)-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-(pivaloylthiocarbamoylamino)thiophene-2-carboxylic acid ethyl ester Formula: C15H19N3O3S2 MolecularWeight: 353.45966

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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)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3S2/c1-6-21-12(19)10-8(2)9(7-16)11(23-10)17-14(22)18-13(20)15(3,4)5/h6H2,1-5H3,(H2,17,18,20,22)