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

Systemtic Name: [(4S)-4-[(4-bromophenyl)carbamoyloxy]-3,3-dimethyl-4-(4-oxidanylnaphthalen-1-yl)butyl] 2-sulfanylethanoate Openeye Name: [(4S)-4-[(4-bromophenyl)carbamoyloxy]-4-(4-hydroxy-1-naphthyl)-3,3-dimethyl-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(4S)-4-[(4-bromoanilino)-oxomethoxy]-4-(4-hydroxy-1-naphthalenyl)-3,3-dimethylbutyl] ester IUPAC Name: [(4S)-4-[(4-bromophenyl)carbamoyloxy]-4-(4-hydroxynaphthalen-1-yl)-3,3-dimethylbutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(4S)-4-[(4-bromophenyl)carbamoyloxy]-4-(4-hydroxy-1-naphthyl)-3,3-dimethyl-butyl] ester Formula: C25H26BrNO5S MolecularWeight: 532.44664

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H26BrNO5S/c1-25(2,13-14-31-22(29)15-33)23(32-24(30)27-17-9-7-16(26)8-10-17)20-11-12-21(28)19-6-4-3-5-18(19)20/h3-12,23,28,33H,13-15H2,1-2H3,(H,27,30)/t23-/m1/s1