2-(2-methylphenoxy)ethyl 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: 2-(2-methylphenoxy)ethyl 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: 2-(2-methylphenoxy)ethyl 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid 2-(2-methylphenoxy)ethyl ester IUPAC Name: 2-(2-methylphenoxy)ethyl 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid 2-(2-methylphenoxy)ethyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCOC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC=C1OCCOC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H25NO4S/c1-16-8-6-7-11-19(16)25-13-14-26-21(24)18(12-15-27-2)22-20(23)17-9-4-3-5-10-17/h3-11,18H,12-15H2,1-2H3,(H,22,23)