O4-ethyl O2-methyl 5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-methyl 5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-methyl 5-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester IUPAC Name: 4-O-ethyl 2-O-methyl 5-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-carbonylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester Formula: C20H20N2O7S2 MolecularWeight: 464.512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H20N2O7S2/c1-4-27-18(24)14-10(2)15(19(25)26-3)31-17(14)22-20(30)21-16(23)11-5-6-12-13(9-11)29-8-7-28-12/h5-6,9H,4,7-8H2,1-3H3,(H2,21,22,23,30)