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

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: 2-(3-bromophenoxy)ethyl 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid 2-(3-bromophenoxy)ethyl ester Formula: C20H22BrNO4S MolecularWeight: 452.36198

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCCOC1=CC(=CC=C1)Br)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)OCCOC1=CC(=CC=C1)Br)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H22BrNO4S/c1-27-13-10-18(22-19(23)15-6-3-2-4-7-15)20(24)26-12-11-25-17-9-5-8-16(21)14-17/h2-9,14,18H,10-13H2,1H3,(H,22,23)