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

Systemtic Name: diethyl 5-(2-ethylhexylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(2-ethylhexylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(2-ethylhexylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(2-ethylhexylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(2-ethylhexylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H32N2O4S2 MolecularWeight: 428.60908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCCCC(CC)CNC(=S)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C20H32N2O4S2/c1-6-10-11-14(7-2)12-21-20(27)22-17-15(18(23)25-8-3)13(5)16(28-17)19(24)26-9-4/h14H,6-12H2,1-5H3,(H2,21,22,27)