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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O4S2/c1-5-8-9-10-11-12-13-21-20(27)22-17-15(18(23)25-6-2)14(4)16(28-17)19(24)26-7-3/h5-13H2,1-4H3,(H2,21,22,27)