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

Systemtic Name: diethyl 5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H22N2O6S2/c1-4-25-18(23)15-11(3)16(19(24)26-5-2)30-17(15)22-20(29)21-12-6-7-13-14(10-12)28-9-8-27-13/h6-7,10H,4-5,8-9H2,1-3H3,(H2,21,22,29)