2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoate IUPAC Name: 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyrate Formula: C12H14NO3S- MolecularWeight: 252.30946

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1=CC=CC=C1

Isomeric SMILES

CSCCC(C(=O)[O-])NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H15NO3S/c1-17-8-7-10(12(15)16)13-11(14)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14)(H,15,16)/p-1