methyl 3-(4-acetamidophenyl)sulfanylpropanoate

Systemtic Name: methyl 3-(4-acetamidophenyl)sulfanylpropanoate Openeye Name: methyl 3-(4-acetamidophenyl)sulfanylpropanoate CAS Name: 3-[(4-acetamidophenyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(4-acetamidophenyl)sulfanylpropanoate Traditional Name: 3-[(4-acetamidophenyl)thio]propionic acid methyl ester Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCCC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCCC(=O)OC

InChI

InChI=1S/C12H15NO3S/c1-9(14)13-10-3-5-11(6-4-10)17-8-7-12(15)16-2/h3-6H,7-8H2,1-2H3,(H,13,14)