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

Systemtic Name: [(3S,4S)-4-[(4-ethanoylphenyl)carbamoyloxy]-3-methoxy-4-(4-methoxy-3-oxidanyl-phenyl)butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-4-[(4-acetylphenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxy-phenyl)-3-methoxy-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-4-[(4-acetylanilino)-oxomethoxy]-4-(3-hydroxy-4-methoxyphenyl)-3-methoxybutyl] ester IUPAC Name: [(3S,4S)-4-[(4-acetylphenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxyphenyl)-3-methoxybutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-4-[(4-acetylphenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxy-phenyl)-3-methoxy-butyl] ester Formula: C23H27NO8S MolecularWeight: 477.52738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO8S/c1-14(25)15-4-7-17(8-5-15)24-23(28)32-22(16-6-9-19(29-2)18(26)12-16)20(30-3)10-11-31-21(27)13-33/h4-9,12,20,22,26,33H,10-11,13H2,1-3H3,(H,24,28)/t20-,22-/m0/s1