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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2S2/c1-5-8(3)14-13(18)15-11-10(12(16)17-4)7-9(6-2)19-11/h7-8H,5-6H2,1-4H3,(H2,14,15,18)