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

Systemtic Name: [(3S,4S)-3-ethoxy-4-(4-oxidanylnaphthalen-1-yl)-4-(phenylcarbonylcarbamoyloxy)butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-4-(benzoylcarbamoyloxy)-3-ethoxy-4-(4-hydroxy-1-naphthyl)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-4-[benzamido(oxo)methoxy]-3-ethoxy-4-(4-hydroxy-1-naphthalenyl)butyl] ester IUPAC Name: [(3S,4S)-4-(benzoylcarbamoyloxy)-3-ethoxy-4-(4-hydroxynaphthalen-1-yl)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-4-(benzoylcarbamoyloxy)-3-ethoxy-4-(4-hydroxy-1-naphthyl)butyl] ester Formula: C26H27NO7S MolecularWeight: 497.56008

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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)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCO[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/C26H27NO7S/c1-2-32-22(14-15-33-23(29)16-35)24(20-12-13-21(28)19-11-7-6-10-18(19)20)34-26(31)27-25(30)17-8-4-3-5-9-17/h3-13,22,24,28,35H,2,14-16H2,1H3,(H,27,30,31)/t22-,24-/m0/s1