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

Systemtic Name: [(3R,4R)-3-ethoxy-4-(4-oxidanylnaphthalen-1-yl)-4-(phenylcarbamoyloxy)butyl] 2-sulfanylethanoate Openeye Name: [(3R,4R)-3-ethoxy-4-(4-hydroxy-1-naphthyl)-4-(phenylcarbamoyloxy)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4R)-4-[anilino(oxo)methoxy]-3-ethoxy-4-(4-hydroxy-1-naphthalenyl)butyl] ester IUPAC Name: [(3R,4R)-3-ethoxy-4-(4-hydroxynaphthalen-1-yl)-4-(phenylcarbamoyloxy)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4R)-3-ethoxy-4-(4-hydroxy-1-naphthyl)-4-(phenylcarbamoyloxy)butyl] ester Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO6S/c1-2-30-22(14-15-31-23(28)16-33)24(32-25(29)26-17-8-4-3-5-9-17)20-12-13-21(27)19-11-7-6-10-18(19)20/h3-13,22,24,27,33H,2,14-16H2,1H3,(H,26,29)/t22-,24-/m1/s1