ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate

Systemtic Name: ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate Openeye Name: ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate CAS Name: 4-acetamido-3-[(methylthio)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate Traditional Name: 4-acetamido-3-[(methylthio)methyl]benzoic acid ethyl ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C)CSC

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C)CSC

InChI

InChI=1S/C13H17NO3S/c1-4-17-13(16)10-5-6-12(14-9(2)15)11(7-10)8-18-3/h5-7H,4,8H2,1-3H3,(H,14,15)