[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: 3-[(4-tert-butylbenzoyl)amino]propionic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)OCC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)OCC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C23H28N2O4S/c1-23(2,3)17-11-9-16(10-12-17)22(28)24-14-13-21(27)29-15-20(26)25-18-7-5-6-8-19(18)30-4/h5-12H,13-15H2,1-4H3,(H,24,28)(H,25,26)