methyl 2-(tert-butylcarbamothioylamino)-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(tert-butylcarbamothioylamino)-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-(tert-butylcarbamothioylamino)-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(tert-butylamino)-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(tert-butylcarbamothioylamino)-5-ethylthiophene-3-carboxylate Traditional Name: 2-(tert-butylthiocarbamoylamino)-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C13H20N2O2S2 MolecularWeight: 300.4401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2S2/c1-6-8-7-9(11(16)17-5)10(19-8)14-12(18)15-13(2,3)4/h7H,6H2,1-5H3,(H2,14,15,18)