4-(2-acetamidoethylsulfanyl)benzoic acid

Systemtic Name: 4-(2-acetamidoethylsulfanyl)benzoic acid Openeye Name: 4-(2-acetamidoethylsulfanyl)benzoic acid CAS Name: 4-(2-acetamidoethylthio)benzoic acid IUPAC Name: 4-(2-acetamidoethylsulfanyl)benzoic acid Traditional Name: 4-(2-acetamidoethylthio)benzoic acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(=O)NCCSC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C11H13NO3S/c1-8(13)12-6-7-16-10-4-2-9(3-5-10)11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15)