[(4R)-4-[(4-bromophenyl)carbamoyloxy]-4-(4-oxidanylnaphthalen-1-yl)butyl] 2-sulfanylethanoate

Systemtic Name: [(4R)-4-[(4-bromophenyl)carbamoyloxy]-4-(4-oxidanylnaphthalen-1-yl)butyl] 2-sulfanylethanoate Openeye Name: [(4R)-4-[(4-bromophenyl)carbamoyloxy]-4-(4-hydroxy-1-naphthyl)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(4R)-4-[(4-bromoanilino)-oxomethoxy]-4-(4-hydroxy-1-naphthalenyl)butyl] ester IUPAC Name: [(4R)-4-[(4-bromophenyl)carbamoyloxy]-4-(4-hydroxynaphthalen-1-yl)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(4R)-4-[(4-bromophenyl)carbamoyloxy]-4-(4-hydroxy-1-naphthyl)butyl] ester Formula: C23H22BrNO5S MolecularWeight: 504.39348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2O)C(CCCOC(=O)CS)OC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2O)[C@@H](CCCOC(=O)CS)OC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H22BrNO5S/c24-15-7-9-16(10-8-15)25-23(28)30-21(6-3-13-29-22(27)14-31)19-11-12-20(26)18-5-2-1-4-17(18)19/h1-2,4-5,7-12,21,26,31H,3,6,13-14H2,(H,25,28)/t21-/m1/s1