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

Systemtic Name: methyl 5-ethyl-2-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-(1,1,3,3-tetramethylbutylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[sulfanylidene-(2,4,4-trimethylpentan-2-ylamino)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-ethyl-2-(1,1,3,3-tetramethylbutylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C17H28N2O2S2 MolecularWeight: 356.54642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2S2/c1-8-11-9-12(14(20)21-7)13(23-11)18-15(22)19-17(5,6)10-16(2,3)4/h9H,8,10H2,1-7H3,(H2,18,19,22)