[1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: [1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: [1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic acid [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid (2-keto-2-mesidino-1-methyl-ethyl) ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)CC(C2=CC=CS2)NC(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)CC(C2=CC=CS2)NC(=O)C)C

InChI

InChI=1S/C21H26N2O4S/c1-12-9-13(2)20(14(3)10-12)23-21(26)15(4)27-19(25)11-17(22-16(5)24)18-7-6-8-28-18/h6-10,15,17H,11H2,1-5H3,(H,22,24)(H,23,26)