(3,3-dimethyl-2-oxidanylidene-butyl) 4-oxidanylidene-4-[(4-phenylsulfanylphenyl)amino]butanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-oxidanylidene-4-[(4-phenylsulfanylphenyl)amino]butanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-oxo-4-(4-phenylsulfanylanilino)butanoate CAS Name: 4-oxo-4-[4-(phenylthio)anilino]butanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-oxo-4-(4-phenylsulfanylanilino)butanoate Traditional Name: 4-keto-4-[4-(phenylthio)anilino]butyric acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)CCC(=O)NC1=CC=C(C=C1)SC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)CCC(=O)NC1=CC=C(C=C1)SC2=CC=CC=C2

InChI

InChI=1S/C22H25NO4S/c1-22(2,3)19(24)15-27-21(26)14-13-20(25)23-16-9-11-18(12-10-16)28-17-7-5-4-6-8-17/h4-12H,13-15H2,1-3H3,(H,23,25)