2-(3-methylphenoxy)ethyl 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: 2-(3-methylphenoxy)ethyl 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: 2-(3-methylphenoxy)ethyl 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid 2-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid 2-(3-methylphenoxy)ethyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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