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

Systemtic Name: diethyl 5-(3,3-dimethylbutan-2-ylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-(1,2,2-trimethylpropylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 5-[[(3,3-dimethylbutan-2-ylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(3,3-dimethylbutan-2-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(1,2,2-trimethylpropylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H28N2O4S2 MolecularWeight: 400.55592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O4S2/c1-8-23-15(21)12-10(3)13(16(22)24-9-2)26-14(12)20-17(25)19-11(4)18(5,6)7/h11H,8-9H2,1-7H3,(H2,19,20,25)