methyl 5-ethyl-2-(2-methylpropylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-(2-methylpropylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-(isobutylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(2-methylpropylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-(2-methylpropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-ethyl-2-(isobutylthiocarbamoylamino)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)NCC(C)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2S2/c1-5-9-6-10(12(16)17-4)11(19-9)15-13(18)14-7-8(2)3/h6,8H,5,7H2,1-4H3,(H2,14,15,18)