methyl 2-acetamido-2-methylsulfanyl-2-phenyl-ethanoate

Systemtic Name: methyl 2-acetamido-2-methylsulfanyl-2-phenyl-ethanoate Openeye Name: methyl 2-acetamido-2-methylsulfanyl-2-phenyl-acetate CAS Name: 2-acetamido-2-(methylthio)-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-acetamido-2-methylsulfanyl-2-phenylacetate Traditional Name: 2-acetamido-2-(methylthio)-2-phenyl-acetic acid methyl ester Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C1=CC=CC=C1)(C(=O)OC)SC

Isomeric SMILES

CC(=O)NC(C1=CC=CC=C1)(C(=O)OC)SC

InChI

InChI=1S/C12H15NO3S/c1-9(14)13-12(17-3,11(15)16-2)10-7-5-4-6-8-10/h4-8H,1-3H3,(H,13,14)