methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-4,5-dimethoxy-benzoate Openeye Name: methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(1,3-benzodioxol-5-ylthiocarbamoylamino)-4,5-dimethoxy-benzoic acid methyl ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NC2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NC2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C18H18N2O6S/c1-22-14-7-11(17(21)24-3)12(8-15(14)23-2)20-18(27)19-10-4-5-13-16(6-10)26-9-25-13/h4-8H,9H2,1-3H3,(H2,19,20,27)