methyl 2-(3,3-dimethylbutan-2-ylcarbamothioylamino)-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(3,3-dimethylbutan-2-ylcarbamothioylamino)-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-(1,2,2-trimethylpropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(3,3-dimethylbutan-2-ylamino)-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,3-dimethylbutan-2-ylcarbamothioylamino)-5-ethylthiophene-3-carboxylate Traditional Name: 5-ethyl-2-(1,2,2-trimethylpropylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C15H24N2O2S2 MolecularWeight: 328.49326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O2S2/c1-7-10-8-11(13(18)19-6)12(21-10)17-14(20)16-9(2)15(3,4)5/h8-9H,7H2,1-6H3,(H2,16,17,20)