methyl 4,5-dimethoxy-2-(prop-2-enylcarbamothioylamino)benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-(prop-2-enylcarbamothioylamino)benzoate Openeye Name: methyl 2-(allylcarbamothioylamino)-4,5-dimethoxy-benzoate CAS Name: 4,5-dimethoxy-2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-(prop-2-enylcarbamothioylamino)benzoate Traditional Name: 2-(allylthiocarbamoylamino)-4,5-dimethoxy-benzoic acid methyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NCC=C)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NCC=C)OC

InChI

InChI=1S/C14H18N2O4S/c1-5-6-15-14(21)16-10-8-12(19-3)11(18-2)7-9(10)13(17)20-4/h5,7-8H,1,6H2,2-4H3,(H2,15,16,21)