[1-oxidanylidene-1-(4-phenylmethoxyphenyl)propan-2-yl] 5-oxidanylidene-5-[(4-phenylsulfanylphenyl)amino]pentanoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylmethoxyphenyl)propan-2-yl] 5-oxidanylidene-5-[(4-phenylsulfanylphenyl)amino]pentanoate Openeye Name: [2-(4-benzyloxyphenyl)-1-methyl-2-oxo-ethyl] 5-oxo-5-(4-phenylsulfanylanilino)pentanoate CAS Name: 5-oxo-5-[4-(phenylthio)anilino]pentanoic acid [1-oxo-1-(4-phenylmethoxyphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylmethoxyphenyl)propan-2-yl] 5-oxo-5-(4-phenylsulfanylanilino)pentanoate Traditional Name: 5-keto-5-[4-(phenylthio)anilino]valeric acid [2-(4-benzoxyphenyl)-2-keto-1-methyl-ethyl] ester Formula: C33H31NO5S MolecularWeight: 553.66794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2)OC(=O)CCCC(=O)NC3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2)OC(=O)CCCC(=O)NC3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C33H31NO5S/c1-24(33(37)26-15-19-28(20-16-26)38-23-25-9-4-2-5-10-25)39-32(36)14-8-13-31(35)34-27-17-21-30(22-18-27)40-29-11-6-3-7-12-29/h2-7,9-12,15-22,24H,8,13-14,23H2,1H3,(H,34,35)