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

Systemtic Name: [(4S)-4-[(4-cyanophenyl)carbamoyloxy]-3,3-dimethyl-4-(4-oxidanylnaphthalen-1-yl)butyl] 2-sulfanylethanoate Openeye Name: [(4S)-4-[(4-cyanophenyl)carbamoyloxy]-4-(4-hydroxy-1-naphthyl)-3,3-dimethyl-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(4S)-4-[(4-cyanoanilino)-oxomethoxy]-4-(4-hydroxy-1-naphthalenyl)-3,3-dimethylbutyl] ester IUPAC Name: [(4S)-4-[(4-cyanophenyl)carbamoyloxy]-4-(4-hydroxynaphthalen-1-yl)-3,3-dimethylbutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(4S)-4-[(4-cyanophenyl)carbamoyloxy]-4-(4-hydroxy-1-naphthyl)-3,3-dimethyl-butyl] ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(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/C26H26N2O5S/c1-26(2,13-14-32-23(30)16-34)24(21-11-12-22(29)20-6-4-3-5-19(20)21)33-25(31)28-18-9-7-17(15-27)8-10-18/h3-12,24,29,34H,13-14,16H2,1-2H3,(H,28,31)/t24-/m1/s1