ethyl 5-(2,2-dimethylpropanoylamino)-3-methyl-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 5-(2,2-dimethylpropanoylamino)-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-(2,2-dimethylpropanoylamino)-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[(2,2-dimethyl-1-oxopropyl)amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2,2-dimethylpropanoylamino)-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 3-methyl-5-(pivaloylamino)-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C14H18N2O3S2 MolecularWeight: 326.43432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3S2/c1-6-19-12(17)10-8(2)9(20-7-15)11(21-10)16-13(18)14(3,4)5/h6H2,1-5H3,(H,16,18)