[2-(2-acetamidoethylsulfanyl)-6-iodanyl-phenyl] ethanoate

Systemtic Name: [2-(2-acetamidoethylsulfanyl)-6-iodanyl-phenyl] ethanoate Openeye Name: [2-(2-acetamidoethylsulfanyl)-6-iodo-phenyl] acetate CAS Name: acetic acid [2-(2-acetamidoethylthio)-6-iodophenyl] ester IUPAC Name: [2-(2-acetamidoethylsulfanyl)-6-iodophenyl] acetate Traditional Name: acetic acid [2-(2-acetamidoethylthio)-6-iodo-phenyl] ester Formula: C12H14INO3S MolecularWeight: 379.21393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14INO3S/c1-8(15)14-6-7-18-11-5-3-4-10(13)12(11)17-9(2)16/h3-5H,6-7H2,1-2H3,(H,14,15)