diethyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)benzene-1,4-dicarboxylate

Systemtic Name: diethyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)benzene-1,4-dicarboxylate Openeye Name: diethyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)benzene-1,4-dicarboxylate CAS Name: 2-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)benzene-1,4-dicarboxylate Traditional Name: 2-(1,3-benzodioxol-5-ylthiocarbamoylamino)benzene-1,4-dicarboxylic acid diethyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H20N2O6S/c1-3-25-18(23)12-5-7-14(19(24)26-4-2)15(9-12)22-20(29)21-13-6-8-16-17(10-13)28-11-27-16/h5-10H,3-4,11H2,1-2H3,(H2,21,22,29)