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

Systemtic Name: methyl 2-(furan-2-ylmethylcarbamothioylamino)-4,5-dimethoxy-benzoate Openeye Name: methyl 2-(2-furylmethylcarbamothioylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-(furan-2-ylmethylcarbamothioylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(2-furfurylthiocarbamoylamino)-4,5-dimethoxy-benzoic acid methyl ester Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NCC2=CC=CO2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NCC2=CC=CO2)OC

InChI

InChI=1S/C16H18N2O5S/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/h4-8H,9H2,1-3H3,(H2,17,18,24)