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

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-tert-butylphenyl)carbonylamino]ethanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]acetic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]acetic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C22H26N2O4S/c1-22(2,3)16-10-8-15(9-11-16)21(27)23-13-20(26)28-14-19(25)24-17-6-5-7-18(12-17)29-4/h5-12H,13-14H2,1-4H3,(H,23,27)(H,24,25)