[(4R)-4-[(4-ethanoylphenyl)carbamoyloxy]-4-(4-oxidanylnaphthalen-1-yl)butyl] 2-sulfanylethanoate

Systemtic Name: [(4R)-4-[(4-ethanoylphenyl)carbamoyloxy]-4-(4-oxidanylnaphthalen-1-yl)butyl] 2-sulfanylethanoate Openeye Name: [(4R)-4-[(4-acetylphenyl)carbamoyloxy]-4-(4-hydroxy-1-naphthyl)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(4R)-4-[(4-acetylanilino)-oxomethoxy]-4-(4-hydroxy-1-naphthalenyl)butyl] ester IUPAC Name: [(4R)-4-[(4-acetylphenyl)carbamoyloxy]-4-(4-hydroxynaphthalen-1-yl)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(4R)-4-[(4-acetylphenyl)carbamoyloxy]-4-(4-hydroxy-1-naphthyl)butyl] ester Formula: C25H25NO6S MolecularWeight: 467.5341

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)OC(CCCOC(=O)CS)C2=CC=C(C3=CC=CC=C32)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)O[C@H](CCCOC(=O)CS)C2=CC=C(C3=CC=CC=C32)O

InChI

InChI=1S/C25H25NO6S/c1-16(27)17-8-10-18(11-9-17)26-25(30)32-23(7-4-14-31-24(29)15-33)21-12-13-22(28)20-6-3-2-5-19(20)21/h2-3,5-6,8-13,23,28,33H,4,7,14-15H2,1H3,(H,26,30)/t23-/m1/s1