2-[5-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2-chloranyl-phenoxy]-2-chloranyl-ethanoic acid

Systemtic Name: 2-[5-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2-chloranyl-phenoxy]-2-chloranyl-ethanoic acid Openeye Name: 2-[5-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2-chloro-phenoxy]-2-chloro-acetic acid CAS Name: 2-[5-[[[[(4-acetamidophenyl)thio]amino]-oxomethyl]amino]-2-chlorophenoxy]-2-chloroacetic acid IUPAC Name: 2-[5-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2-chlorophenoxy]-2-chloroacetic acid Traditional Name: 2-[5-[[(4-acetamidophenyl)thio]carbamoylamino]-2-chloro-phenoxy]-2-chloro-acetic acid Formula: C17H15Cl2N3O5S MolecularWeight: 444.2891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SNC(=O)NC2=CC(=C(C=C2)Cl)OC(C(=O)O)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SNC(=O)NC2=CC(=C(C=C2)Cl)OC(C(=O)O)Cl

InChI

InChI=1S/C17H15Cl2N3O5S/c1-9(23)20-10-2-5-12(6-3-10)28-22-17(26)21-11-4-7-13(18)14(8-11)27-15(19)16(24)25/h2-8,15H,1H3,(H,20,23)(H,24,25)(H2,21,22,26)