[(3S,4S)-3-methoxy-4-(4-methoxy-3-oxidanyl-phenyl)-4-(naphthalen-1-ylcarbamoyloxy)butyl] 2-sulfanylethanoate

Systemtic Name: [(3S,4S)-3-methoxy-4-(4-methoxy-3-oxidanyl-phenyl)-4-(naphthalen-1-ylcarbamoyloxy)butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-4-(3-hydroxy-4-methoxy-phenyl)-3-methoxy-4-(1-naphthylcarbamoyloxy)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-4-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4-[(1-naphthalenylamino)-oxomethoxy]butyl] ester IUPAC Name: [(3S,4S)-4-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4-(naphthalen-1-ylcarbamoyloxy)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-4-(3-hydroxy-4-methoxy-phenyl)-3-methoxy-4-(1-naphthylcarbamoyloxy)butyl] ester Formula: C25H27NO7S MolecularWeight: 485.54938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(CCOC(=O)CS)OC)OC(=O)NC2=CC=CC3=CC=CC=C32)O

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]([C@H](CCOC(=O)CS)OC)OC(=O)NC2=CC=CC3=CC=CC=C32)O

InChI

InChI=1S/C25H27NO7S/c1-30-21-11-10-17(14-20(21)27)24(22(31-2)12-13-32-23(28)15-34)33-25(29)26-19-9-5-7-16-6-3-4-8-18(16)19/h3-11,14,22,24,27,34H,12-13,15H2,1-2H3,(H,26,29)/t22-,24-/m0/s1