methyl 3-(4-acetamidophenyl)sulfanyl-2-methyl-propanoate

Systemtic Name: methyl 3-(4-acetamidophenyl)sulfanyl-2-methyl-propanoate Openeye Name: methyl 3-(4-acetamidophenyl)sulfanyl-2-methyl-propanoate CAS Name: 3-[(4-acetamidophenyl)thio]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 3-(4-acetamidophenyl)sulfanyl-2-methylpropanoate Traditional Name: 3-[(4-acetamidophenyl)thio]-2-methyl-propionic acid methyl ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=C(C=C1)NC(=O)C)C(=O)OC

Isomeric SMILES

CC(CSC1=CC=C(C=C1)NC(=O)C)C(=O)OC

InChI

InChI=1S/C13H17NO3S/c1-9(13(16)17-3)8-18-12-6-4-11(5-7-12)14-10(2)15/h4-7,9H,8H2,1-3H3,(H,14,15)