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

Systemtic Name: dimethyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)benzene-1,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)benzene-1,4-dicarboxylate Traditional Name: 2-(1,3-benzodioxol-5-ylthiocarbamoylamino)benzene-1,4-dicarboxylic acid dimethyl ester Formula: C18H16N2O6S MolecularWeight: 388.39444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H16N2O6S/c1-23-16(21)10-3-5-12(17(22)24-2)13(7-10)20-18(27)19-11-4-6-14-15(8-11)26-9-25-14/h3-8H,9H2,1-2H3,(H2,19,20,27)