[(4S)-4-[(4-ethanoylphenyl)carbamoyloxy]-4-(4-methoxy-3-oxidanyl-phenyl)butyl] 2-sulfanylethanoate

Systemtic Name: [(4S)-4-[(4-ethanoylphenyl)carbamoyloxy]-4-(4-methoxy-3-oxidanyl-phenyl)butyl] 2-sulfanylethanoate Openeye Name: [(4S)-4-[(4-acetylphenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxy-phenyl)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(4S)-4-[(4-acetylanilino)-oxomethoxy]-4-(3-hydroxy-4-methoxyphenyl)butyl] ester IUPAC Name: [(4S)-4-[(4-acetylphenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxyphenyl)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(4S)-4-[(4-acetylphenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxy-phenyl)butyl] ester Formula: C22H25NO7S MolecularWeight: 447.5014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)OC(CCCOC(=O)CS)C2=CC(=C(C=C2)OC)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)O[C@@H](CCCOC(=O)CS)C2=CC(=C(C=C2)OC)O

InChI

InChI=1S/C22H25NO7S/c1-14(24)15-5-8-17(9-6-15)23-22(27)30-19(4-3-11-29-21(26)13-31)16-7-10-20(28-2)18(25)12-16/h5-10,12,19,25,31H,3-4,11,13H2,1-2H3,(H,23,27)/t19-/m0/s1