[1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: [1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: [1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-2-benzofurancarboxylic acid [1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]coumarilic acid [2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)OC(=O)C1=C(C2=CC=CC=C2O1)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)NC(=O)NC)OC(=O)C1=C(C2=CC=CC=C2O1)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClN2O5S/c1-12(19(25)24-21(27)23-2)28-20(26)18-16(15-5-3-4-6-17(15)29-18)11-30-14-9-7-13(22)8-10-14/h3-10,12H,11H2,1-2H3,(H2,23,24,25,27)