[(4R)-3,3-dimethyl-4-(4-oxidanylnaphthalen-1-yl)-4-(phenylcarbamoyloxy)butyl] 2-sulfanylethanoate

Systemtic Name: [(4R)-3,3-dimethyl-4-(4-oxidanylnaphthalen-1-yl)-4-(phenylcarbamoyloxy)butyl] 2-sulfanylethanoate Openeye Name: [(4R)-4-(4-hydroxy-1-naphthyl)-3,3-dimethyl-4-(phenylcarbamoyloxy)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(4R)-4-[anilino(oxo)methoxy]-4-(4-hydroxy-1-naphthalenyl)-3,3-dimethylbutyl] ester IUPAC Name: [(4R)-4-(4-hydroxynaphthalen-1-yl)-3,3-dimethyl-4-(phenylcarbamoyloxy)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(4R)-4-(4-hydroxy-1-naphthyl)-3,3-dimethyl-4-(phenylcarbamoyloxy)butyl] ester Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCOC(=O)CS)C(C1=CC=C(C2=CC=CC=C21)O)OC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(CCOC(=O)CS)[C@H](C1=CC=C(C2=CC=CC=C21)O)OC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H27NO5S/c1-25(2,14-15-30-22(28)16-32)23(31-24(29)26-17-8-4-3-5-9-17)20-12-13-21(27)19-11-7-6-10-18(19)20/h3-13,23,27,32H,14-16H2,1-2H3,(H,26,29)/t23-/m0/s1