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

Systemtic Name: diethyl 5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C21H22N2O7S2 MolecularWeight: 478.53858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7S2/c1-4-27-19(25)15-11(3)16(20(26)28-5-2)32-18(15)23-21(31)22-17(24)12-6-7-13-14(10-12)30-9-8-29-13/h6-7,10H,4-5,8-9H2,1-3H3,(H2,22,23,24,31)