dimethyl 5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-carbonylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H18N2O7S MolecularWeight: 430.43112

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3)C(=O)OC

InChI

InChI=1S/C20H18N2O7S/c1-26-18(24)12-7-13(19(25)27-2)9-14(8-12)21-20(30)22-17(23)11-3-4-15-16(10-11)29-6-5-28-15/h3-4,7-10H,5-6H2,1-2H3,(H2,21,22,23,30)