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

Systemtic Name: diethyl 5-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-[5-(4-chlorophenyl)-2-furyl]prop-2-enoylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[3-[5-(4-chlorophenyl)-2-furanyl]-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3-[5-(4-chlorophenyl)-2-furyl]acryloyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C25H23ClN2O6S2 MolecularWeight: 547.04292

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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=C(O2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H23ClN2O6S2/c1-4-32-23(30)20-14(3)21(24(31)33-5-2)36-22(20)28-25(35)27-19(29)13-11-17-10-12-18(34-17)15-6-8-16(26)9-7-15/h6-13H,4-5H2,1-3H3,(H2,27,28,29,35)