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

Systemtic Name: [(4S)-4-[(4-cyanophenyl)carbamoyloxy]-4-(4-oxidanylnaphthalen-1-yl)butyl] 2-sulfanylethanoate Openeye Name: [(4S)-4-[(4-cyanophenyl)carbamoyloxy]-4-(4-hydroxy-1-naphthyl)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(4S)-4-[(4-cyanoanilino)-oxomethoxy]-4-(4-hydroxy-1-naphthalenyl)butyl] ester IUPAC Name: [(4S)-4-[(4-cyanophenyl)carbamoyloxy]-4-(4-hydroxynaphthalen-1-yl)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(4S)-4-[(4-cyanophenyl)carbamoyloxy]-4-(4-hydroxy-1-naphthyl)butyl] ester Formula: C24H22N2O5S MolecularWeight: 450.50688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O5S/c25-14-16-7-9-17(10-8-16)26-24(29)31-22(6-3-13-30-23(28)15-32)20-11-12-21(27)19-5-2-1-4-18(19)20/h1-2,4-5,7-12,22,27,32H,3,6,13,15H2,(H,26,29)/t22-/m0/s1