methyl 2-(carbamothioylamino)-3,4,5-trimethoxy-benzoate

Systemtic Name: methyl 2-(carbamothioylamino)-3,4,5-trimethoxy-benzoate Openeye Name: methyl 2-(carbamothioylamino)-3,4,5-trimethoxy-benzoate CAS Name: 2-(carbamothioylamino)-3,4,5-trimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-(carbamothioylamino)-3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxy-2-thioureido-benzoic acid methyl ester Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O5S/c1-16-7-5-6(11(15)19-4)8(14-12(13)20)10(18-3)9(7)17-2/h5H,1-4H3,(H3,13,14,20)