[4-(2-acetamidoethylsulfanyl)-3-iodanyl-phenyl] ethanoate

Systemtic Name: [4-(2-acetamidoethylsulfanyl)-3-iodanyl-phenyl] ethanoate Openeye Name: [4-(2-acetamidoethylsulfanyl)-3-iodo-phenyl] acetate CAS Name: acetic acid [4-(2-acetamidoethylthio)-3-iodophenyl] ester IUPAC Name: [4-(2-acetamidoethylsulfanyl)-3-iodophenyl] acetate Traditional Name: acetic acid [4-(2-acetamidoethylthio)-3-iodo-phenyl] ester Formula: C12H14INO3S MolecularWeight: 379.21393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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