ethanoyl 3-methylsulfanyl-2-phenyl-butanoate; (phenylmethyl) carbamate

Systemtic Name: ethanoyl 3-methylsulfanyl-2-phenyl-butanoate; (phenylmethyl) carbamate Openeye Name: acetyl 3-methylsulfanyl-2-phenyl-butanoate; benzyl carbamate CAS Name: carbamic acid (phenylmethyl) ester; 3-(methylthio)-2-phenylbutanoic acid acetyl ester IUPAC Name: acetyl 3-methylsulfanyl-2-phenylbutanoate; benzyl carbamate Traditional Name: carbamic acid benzyl ester; 3-(methylthio)-2-phenyl-butyric acid acetyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)C(=O)OC(=O)C)SC.C1=CC=C(C=C1)COC(=O)N

Isomeric SMILES

CC(C(C1=CC=CC=C1)C(=O)OC(=O)C)SC.C1=CC=C(C=C1)COC(=O)N

InChI

InChI=1S/C13H16O3S.C8H9NO2/c1-9(17-3)12(13(15)16-10(2)14)11-7-5-4-6-8-11;9-8(10)11-6-7-4-2-1-3-5-7/h4-9,12H,1-3H3;1-5H,6H2,(H2,9,10)