[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)CC(C2=CC=CS2)NC(=O)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)CC(C2=CC=CS2)NC(=O)C)C)C

InChI

InChI=1S/C20H23NO4S/c1-12-8-14(3)16(9-13(12)2)18(23)11-25-20(24)10-17(21-15(4)22)19-6-5-7-26-19/h5-9,17H,10-11H2,1-4H3,(H,21,22)