2-(3,5-dimethylphenoxy)ethyl 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC(=O)C(CCSC)NC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC(=O)C(CCSC)NC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C22H27NO4S/c1-16-13-17(2)15-19(14-16)26-10-11-27-22(25)20(9-12-28-3)23-21(24)18-7-5-4-6-8-18/h4-8,13-15,20H,9-12H2,1-3H3,(H,23,24)