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

Systemtic Name: [(3S,4S)-4-[(4-cyanophenyl)carbamoyloxy]-3-ethoxy-4-(4-oxidanylnaphthalen-1-yl)butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-4-[(4-cyanophenyl)carbamoyloxy]-3-ethoxy-4-(4-hydroxy-1-naphthyl)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-4-[(4-cyanoanilino)-oxomethoxy]-3-ethoxy-4-(4-hydroxy-1-naphthalenyl)butyl] ester IUPAC Name: [(3S,4S)-4-[(4-cyanophenyl)carbamoyloxy]-3-ethoxy-4-(4-hydroxynaphthalen-1-yl)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-4-[(4-cyanophenyl)carbamoyloxy]-3-ethoxy-4-(4-hydroxy-1-naphthyl)butyl] ester Formula: C26H26N2O6S MolecularWeight: 494.55944

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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=C(C=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O6S/c1-2-32-23(13-14-33-24(30)16-35)25(21-11-12-22(29)20-6-4-3-5-19(20)21)34-26(31)28-18-9-7-17(15-27)8-10-18/h3-12,23,25,29,35H,2,13-14,16H2,1H3,(H,28,31)/t23-,25-/m0/s1