[(3R,4R)-3-ethoxy-4-(4-methoxy-3-oxidanyl-phenyl)-4-(phenylcarbamoyloxy)butyl] 2-sulfanylethanoate

Systemtic Name: [(3R,4R)-3-ethoxy-4-(4-methoxy-3-oxidanyl-phenyl)-4-(phenylcarbamoyloxy)butyl] 2-sulfanylethanoate Openeye Name: [(3R,4R)-3-ethoxy-4-(3-hydroxy-4-methoxy-phenyl)-4-(phenylcarbamoyloxy)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4R)-4-[anilino(oxo)methoxy]-3-ethoxy-4-(3-hydroxy-4-methoxyphenyl)butyl] ester IUPAC Name: [(3R,4R)-3-ethoxy-4-(3-hydroxy-4-methoxyphenyl)-4-(phenylcarbamoyloxy)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4R)-3-ethoxy-4-(3-hydroxy-4-methoxy-phenyl)-4-(phenylcarbamoyloxy)butyl] ester Formula: C22H27NO7S MolecularWeight: 449.51728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCOC(=O)CS)C(C1=CC(=C(C=C1)OC)O)OC(=O)NC2=CC=CC=C2

Isomeric SMILES

CCO[C@H](CCOC(=O)CS)[C@@H](C1=CC(=C(C=C1)OC)O)OC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C22H27NO7S/c1-3-28-19(11-12-29-20(25)14-31)21(15-9-10-18(27-2)17(24)13-15)30-22(26)23-16-7-5-4-6-8-16/h4-10,13,19,21,24,31H,3,11-12,14H2,1-2H3,(H,23,26)/t19-,21-/m1/s1