(4-tert-butylphenyl)methyl 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: (4-tert-butylphenyl)methyl 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: (4-tert-butylphenyl)methyl 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid (4-tert-butylbenzyl) ester Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H29NO3S/c1-23(2,3)19-12-10-17(11-13-19)16-27-22(26)20(14-15-28-4)24-21(25)18-8-6-5-7-9-18/h5-13,20H,14-16H2,1-4H3,(H,24,25)