methyl 4-(4-acetamidophenyl)sulfanylbutanoate

Systemtic Name: methyl 4-(4-acetamidophenyl)sulfanylbutanoate Openeye Name: methyl 4-(4-acetamidophenyl)sulfanylbutanoate CAS Name: 4-[(4-acetamidophenyl)thio]butanoic acid methyl ester IUPAC Name: methyl 4-(4-acetamidophenyl)sulfanylbutanoate Traditional Name: 4-[(4-acetamidophenyl)thio]butyric acid methyl ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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