methyl 4-ethyl-5-methyl-2-(2-methylpropylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-(2-methylpropylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-(isobutylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[(2-methylpropylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-(2-methylpropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-ethyl-2-(isobutylthiocarbamoylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C14H22N2O2S2 MolecularWeight: 314.46668

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCC(C)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCC(C)C)C

InChI

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