[(3R,4R)-3-ethoxy-4-(5-iodanyl-2-oxidanyl-phenyl)-4-(naphthalen-1-ylcarbamoyloxy)butyl] 2-sulfanylethanoate

Systemtic Name: [(3R,4R)-3-ethoxy-4-(5-iodanyl-2-oxidanyl-phenyl)-4-(naphthalen-1-ylcarbamoyloxy)butyl] 2-sulfanylethanoate Openeye Name: [(3R,4R)-3-ethoxy-4-(2-hydroxy-5-iodo-phenyl)-4-(1-naphthylcarbamoyloxy)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4R)-3-ethoxy-4-(2-hydroxy-5-iodophenyl)-4-[(1-naphthalenylamino)-oxomethoxy]butyl] ester IUPAC Name: [(3R,4R)-3-ethoxy-4-(2-hydroxy-5-iodophenyl)-4-(naphthalen-1-ylcarbamoyloxy)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4R)-3-ethoxy-4-(2-hydroxy-5-iodo-phenyl)-4-(1-naphthylcarbamoyloxy)butyl] ester Formula: C25H26INO6S MolecularWeight: 595.44651

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCOC(=O)CS)C(C1=C(C=CC(=C1)I)O)OC(=O)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCO[C@H](CCOC(=O)CS)[C@@H](C1=C(C=CC(=C1)I)O)OC(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C25H26INO6S/c1-2-31-22(12-13-32-23(29)15-34)24(19-14-17(26)10-11-21(19)28)33-25(30)27-20-9-5-7-16-6-3-4-8-18(16)20/h3-11,14,22,24,28,34H,2,12-13,15H2,1H3,(H,27,30)/t22-,24-/m1/s1