[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-(furan-2-ylmethylamino)benzoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-(furan-2-ylmethylamino)benzoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 2-(2-furylmethylamino)benzoate CAS Name: 2-(2-furanylmethylamino)benzoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate Traditional Name: 2-(2-furfurylamino)benzoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC=CC=C2NCC3=CC=CO3)SC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC=CC=C2NCC3=CC=CO3)SC

InChI

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