[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-ditert-butylbenzoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-ditert-butylbenzoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C24H31NO3S MolecularWeight: 413.57284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO3S/c1-23(2,3)17-12-16(13-18(14-17)24(4,5)6)22(27)28-15-21(26)25-19-10-8-9-11-20(19)29-7/h8-14H,15H2,1-7H3,(H,25,26)