[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 5-(2-chlorophenyl)furan-2-carboxylate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 5-(2-chlorophenyl)furan-2-carboxylate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 5-(2-chlorophenyl)furan-2-carboxylate CAS Name: 5-(2-chlorophenyl)-2-furancarboxylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 5-(2-chlorophenyl)furan-2-carboxylate Traditional Name: 5-(2-chlorophenyl)furan-2-carboxylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C22H18ClNO5S MolecularWeight: 443.90002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl)SC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl)SC

InChI

InChI=1S/C22H18ClNO5S/c1-13(25)24-17-11-14(7-10-21(17)30-2)18(26)12-28-22(27)20-9-8-19(29-20)15-5-3-4-6-16(15)23/h3-11H,12H2,1-2H3,(H,24,25)