diethyl 3-methyl-5-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-(1,1,3,3-tetramethylbutylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[sulfanylidene-(2,4,4-trimethylpentan-2-ylamino)methyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(1,1,3,3-tetramethylbutylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H32N2O4S2 MolecularWeight: 428.60908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(C)(C)CC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(C)(C)CC(C)(C)C

InChI

InChI=1S/C20H32N2O4S2/c1-9-25-16(23)13-12(3)14(17(24)26-10-2)28-15(13)21-18(27)22-20(7,8)11-19(4,5)6/h9-11H2,1-8H3,(H2,21,22,27)