[2-[[2-(furan-2-ylmethylcarbamoyl)phenyl]-methyl-amino]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-[[2-(furan-2-ylmethylcarbamoyl)phenyl]-methyl-amino]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-[2-(2-furylmethylcarbamoyl)-N-methyl-anilino]-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-[2-[(2-furanylmethylamino)-oxomethyl]-N-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-[2-(2-furfurylcarbamoyl)-N-methyl-anilino]-2-keto-ethyl] ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCC2=CC=CO2)C(=O)COC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCC2=CC=CO2)C(=O)COC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C23H22N2O5S/c1-25(21(26)15-30-23(28)16-9-11-18(31-2)12-10-16)20-8-4-3-7-19(20)22(27)24-14-17-6-5-13-29-17/h3-13H,14-15H2,1-2H3,(H,24,27)