diethyl 5-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-(2-furyl)prop-2-enoylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3-(2-furyl)acryloyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H20N2O6S2 MolecularWeight: 436.5019

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C=CC2=CC=CO2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C=CC2=CC=CO2

InChI

InChI=1S/C19H20N2O6S2/c1-4-25-17(23)14-11(3)15(18(24)26-5-2)29-16(14)21-19(28)20-13(22)9-8-12-7-6-10-27-12/h6-10H,4-5H2,1-3H3,(H2,20,21,22,28)