phenacyl 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: phenacyl 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: phenacyl 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid phenacyl ester IUPAC Name: phenacyl 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid phenacyl ester Formula: C20H21NO4S MolecularWeight: 371.45004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)OCC(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H21NO4S/c1-26-13-12-17(21-19(23)16-10-6-3-7-11-16)20(24)25-14-18(22)15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3,(H,21,23)