[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-benzamidopropanoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-benzamidopropanoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 2-benzamidopropanoate CAS Name: 2-benzamidopropanoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-benzamidopropanoate Traditional Name: 2-benzamidopropionic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC(=C(C=C1)SC)NC(=O)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)OCC(=O)C1=CC(=C(C=C1)SC)NC(=O)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H22N2O5S/c1-13(22-20(26)15-7-5-4-6-8-15)21(27)28-12-18(25)16-9-10-19(29-3)17(11-16)23-14(2)24/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,24)