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

Systemtic Name: diethyl 5-(heptylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(heptylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(heptylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(heptylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(heptylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H30N2O4S2 MolecularWeight: 414.5825

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=S)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCCCCCCNC(=S)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C19H30N2O4S2/c1-5-8-9-10-11-12-20-19(26)21-16-14(17(22)24-6-2)13(4)15(27-16)18(23)25-7-3/h5-12H2,1-4H3,(H2,20,21,26)