methyl 5-ethyl-2-(2-methylbutan-2-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-(2-methylbutan-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 2-(1,1-dimethylpropylcarbamothioylamino)-5-ethyl-thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(2-methylbutan-2-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-(2-methylbutan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(tert-amylthiocarbamoylamino)-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C14H22N2O2S2 MolecularWeight: 314.46668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC(C)(C)CC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC(C)(C)CC)C(=O)OC

InChI

InChI=1S/C14H22N2O2S2/c1-6-9-8-10(12(17)18-5)11(20-9)15-13(19)16-14(3,4)7-2/h8H,6-7H2,1-5H3,(H2,15,16,19)