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

Systemtic Name: methyl 4-cyano-5-(2,2-dimethylpropanoylcarbamothioylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-cyano-5-(2,2-dimethylpropanoylcarbamothioylamino)-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-(pivaloylthiocarbamoylamino)thiophene-2-carboxylic acid methyl ester Formula: C14H17N3O3S2 MolecularWeight: 339.43308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C14H17N3O3S2/c1-7-8(6-15)10(22-9(7)11(18)20-5)16-13(21)17-12(19)14(2,3)4/h1-5H3,(H2,16,17,19,21)