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

Systemtic Name: diethyl 5-(heptan-2-ylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-(1-methylhexylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 5-[[(heptan-2-ylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(heptan-2-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(1-methylhexylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H30N2O4S2 MolecularWeight: 414.5825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O4S2/c1-6-9-10-11-12(4)20-19(26)21-16-14(17(22)24-7-2)13(5)15(27-16)18(23)25-8-3/h12H,6-11H2,1-5H3,(H2,20,21,26)