[2-[(4-tert-butylphenyl)carbonylamino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-[(4-tert-butylphenyl)carbonylamino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-[(4-tert-butylbenzoyl)amino]-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-[[(4-tert-butylphenyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-[(4-tert-butylbenzoyl)amino]-2-keto-ethyl] ester Formula: C23H27NO4S MolecularWeight: 413.52978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C23H27NO4S/c1-16-5-11-19(12-6-16)29-14-13-21(26)28-15-20(25)24-22(27)17-7-9-18(10-8-17)23(2,3)4/h5-12H,13-15H2,1-4H3,(H,24,25,27)