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

Systemtic Name: diethyl 3-methyl-5-(2-methylbutan-2-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(1,1-dimethylpropylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(2-methylbutan-2-ylamino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(2-methylbutan-2-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 5-(tert-amylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H26N2O4S2 MolecularWeight: 386.52934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=S)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCC(C)(C)NC(=S)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C17H26N2O4S2/c1-7-17(5,6)19-16(24)18-13-11(14(20)22-8-2)10(4)12(25-13)15(21)23-9-3/h7-9H2,1-6H3,(H2,18,19,24)