methyl 4-(2,2-dimethoxyethylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(2,2-dimethoxyethylcarbamothioylamino)benzoate Openeye Name: methyl 4-(2,2-dimethoxyethylcarbamothioylamino)benzoate CAS Name: 4-[[(2,2-dimethoxyethylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(2,2-dimethoxyethylcarbamothioylamino)benzoate Traditional Name: 4-(2,2-dimethoxyethylthiocarbamoylamino)benzoic acid methyl ester Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC(=S)NC1=CC=C(C=C1)C(=O)OC)OC

Isomeric SMILES

COC(CNC(=S)NC1=CC=C(C=C1)C(=O)OC)OC

InChI

InChI=1S/C13H18N2O4S/c1-17-11(18-2)8-14-13(20)15-10-6-4-9(5-7-10)12(16)19-3/h4-7,11H,8H2,1-3H3,(H2,14,15,20)