methyl 4-(2,2-dimethoxyethylcarbamothioyl)benzoate

Systemtic Name: methyl 4-(2,2-dimethoxyethylcarbamothioyl)benzoate Openeye Name: methyl 4-(2,2-dimethoxyethylcarbamothioyl)benzoate CAS Name: 4-[(2,2-dimethoxyethylamino)-sulfanylidenemethyl]benzoic acid methyl ester IUPAC Name: methyl 4-(2,2-dimethoxyethylcarbamothioyl)benzoate Traditional Name: 4-(2,2-dimethoxyethylthiocarbamoyl)benzoic acid methyl ester Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c1-16-11(17-2)8-14-12(19)9-4-6-10(7-5-9)13(15)18-3/h4-7,11H,8H2,1-3H3,(H,14,19)