[(3R,4R)-4-(4-hydroxyphenyl)-3-methoxy-4-(naphthalen-1-ylcarbamoyloxy)butyl] 2-sulfanylethanoate

Systemtic Name: [(3R,4R)-4-(4-hydroxyphenyl)-3-methoxy-4-(naphthalen-1-ylcarbamoyloxy)butyl] 2-sulfanylethanoate Openeye Name: [(3R,4R)-4-(4-hydroxyphenyl)-3-methoxy-4-(1-naphthylcarbamoyloxy)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4R)-4-(4-hydroxyphenyl)-3-methoxy-4-[(1-naphthalenylamino)-oxomethoxy]butyl] ester IUPAC Name: [(3R,4R)-4-(4-hydroxyphenyl)-3-methoxy-4-(naphthalen-1-ylcarbamoyloxy)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4R)-4-(4-hydroxyphenyl)-3-methoxy-4-(1-naphthylcarbamoyloxy)butyl] ester Formula: C24H25NO6S MolecularWeight: 455.5234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO6S/c1-29-21(13-14-30-22(27)15-32)23(17-9-11-18(26)12-10-17)31-24(28)25-20-8-4-6-16-5-2-3-7-19(16)20/h2-12,21,23,26,32H,13-15H2,1H3,(H,25,28)/t21-,23-/m1/s1