methyl 4,5-dimethoxy-2-(oxolan-2-ylmethylcarbamothioylamino)benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-(oxolan-2-ylmethylcarbamothioylamino)benzoate Openeye Name: methyl 4,5-dimethoxy-2-(tetrahydrofuran-2-ylmethylcarbamothioylamino)benzoate CAS Name: 4,5-dimethoxy-2-[[(2-oxolanylmethylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-(oxolan-2-ylmethylcarbamothioylamino)benzoate Traditional Name: 4,5-dimethoxy-2-(tetrahydrofurfurylthiocarbamoylamino)benzoic acid methyl ester Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NCC2CCCO2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NCC2CCCO2)OC

InChI

InChI=1S/C16H22N2O5S/c1-20-13-7-11(15(19)22-3)12(8-14(13)21-2)18-16(24)17-9-10-5-4-6-23-10/h7-8,10H,4-6,9H2,1-3H3,(H2,17,18,24)