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

Systemtic Name: diethyl 5-(furan-2-ylmethylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(2-furylmethylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(furan-2-ylmethylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(2-furfurylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCC2=CC=CO2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCC2=CC=CO2

InChI

InChI=1S/C17H20N2O5S2/c1-4-22-15(20)12-10(3)13(16(21)23-5-2)26-14(12)19-17(25)18-9-11-7-6-8-24-11/h6-8H,4-5,9H2,1-3H3,(H2,18,19,25)