[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] 2-(2-furylmethylsulfanyl)benzoate CAS Name: 2-(2-furanylmethylthio)benzoic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(furan-2-ylmethylsulfanyl)benzoate Traditional Name: 2-(2-furfurylthio)benzoic acid [2-keto-2-(m-anisylamino)ethyl] ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)COC(=O)C2=CC=CC=C2SCC3=CC=CO3

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)COC(=O)C2=CC=CC=C2SCC3=CC=CO3

InChI

InChI=1S/C22H21NO5S/c1-26-17-7-4-6-16(12-17)13-23-21(24)14-28-22(25)19-9-2-3-10-20(19)29-15-18-8-5-11-27-18/h2-12H,13-15H2,1H3,(H,23,24)