methyl 2-(3,3-dimethylbutan-2-ylcarbamothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(3,3-dimethylbutan-2-ylcarbamothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-(1,2,2-trimethylpropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(3,3-dimethylbutan-2-ylamino)-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,3-dimethylbutan-2-ylcarbamothioylamino)-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-(1,2,2-trimethylpropylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C16H26N2O2S2 MolecularWeight: 342.51984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2S2/c1-8-11-9(2)22-13(12(11)14(19)20-7)18-15(21)17-10(3)16(4,5)6/h10H,8H2,1-7H3,(H2,17,18,21)