ethyl 4-(3,4-dimethoxyphenyl)-2-(furan-2-ylcarbonylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(furan-2-ylcarbonylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(furan-2-carbonylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-[[[[2-furanyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(furan-2-carbonylcarbamothioylamino)-5-methylthiophene-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(2-furoylthiocarbamoylamino)-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H22N2O6S2 MolecularWeight: 474.54988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC(=C(C=C2)OC)OC)C)NC(=S)NC(=O)C3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC(=C(C=C2)OC)OC)C)NC(=S)NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H22N2O6S2/c1-5-29-21(26)18-17(13-8-9-14(27-3)16(11-13)28-4)12(2)32-20(18)24-22(31)23-19(25)15-7-6-10-30-15/h6-11H,5H2,1-4H3,(H2,23,24,25,31)