[(3S,4S)-3-methoxy-4-(4-oxidanylnaphthalen-1-yl)-4-(phenylcarbonylcarbamoyloxy)butyl] 2-sulfanylethanoate

Systemtic Name: [(3S,4S)-3-methoxy-4-(4-oxidanylnaphthalen-1-yl)-4-(phenylcarbonylcarbamoyloxy)butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-4-(benzoylcarbamoyloxy)-4-(4-hydroxy-1-naphthyl)-3-methoxy-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-4-[benzamido(oxo)methoxy]-4-(4-hydroxy-1-naphthalenyl)-3-methoxybutyl] ester IUPAC Name: [(3S,4S)-4-(benzoylcarbamoyloxy)-4-(4-hydroxynaphthalen-1-yl)-3-methoxybutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-4-(benzoylcarbamoyloxy)-4-(4-hydroxy-1-naphthyl)-3-methoxy-butyl] ester Formula: C25H25NO7S MolecularWeight: 483.5335

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Descriptors Computed from Structure

Canonical SMILES:

COC(CCOC(=O)CS)C(C1=CC=C(C2=CC=CC=C21)O)OC(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CO[C@@H](CCOC(=O)CS)[C@H](C1=CC=C(C2=CC=CC=C21)O)OC(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H25NO7S/c1-31-21(13-14-32-22(28)15-34)23(19-11-12-20(27)18-10-6-5-9-17(18)19)33-25(30)26-24(29)16-7-3-2-4-8-16/h2-12,21,23,27,34H,13-15H2,1H3,(H,26,29,30)/t21-,23-/m0/s1