pentyl 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: pentyl 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: pentyl 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid pentyl ester IUPAC Name: pentyl 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid amyl ester Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(CCSC)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCOC(=O)C(CCSC)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H25NO3S/c1-3-4-8-12-21-17(20)15(11-13-22-2)18-16(19)14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3,(H,18,19)