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

Systemtic Name: [(3R,4S)-3-methyl-4-(4-oxidanylnaphthalen-1-yl)-4-(phenylcarbonylcarbamoyloxy)butyl] 2-sulfanylethanoate Openeye Name: [(3R,4S)-4-(benzoylcarbamoyloxy)-4-(4-hydroxy-1-naphthyl)-3-methyl-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4S)-4-[benzamido(oxo)methoxy]-4-(4-hydroxy-1-naphthalenyl)-3-methylbutyl] ester IUPAC Name: [(3R,4S)-4-(benzoylcarbamoyloxy)-4-(4-hydroxynaphthalen-1-yl)-3-methylbutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4S)-4-(benzoylcarbamoyloxy)-4-(4-hydroxy-1-naphthyl)-3-methyl-butyl] ester Formula: C25H25NO6S MolecularWeight: 467.5341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[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/C25H25NO6S/c1-16(13-14-31-22(28)15-33)23(20-11-12-21(27)19-10-6-5-9-18(19)20)32-25(30)26-24(29)17-7-3-2-4-8-17/h2-12,16,23,27,33H,13-15H2,1H3,(H,26,29,30)/t16-,23+/m1/s1