3-[1-(2-dimethylaminoethyloxy)-1-oxidanylidene-propan-2-yl]sulfanyl-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid

Systemtic Name: 3-[1-(2-dimethylaminoethyloxy)-1-oxidanylidene-propan-2-yl]sulfanyl-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid Openeye Name: 3-[2-(2-dimethylaminoethyloxy)-1-methyl-2-oxo-ethyl]sulfanyl-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid CAS Name: 3-[[1-(2-dimethylaminoethyloxy)-1-oxopropan-2-yl]thio]-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid IUPAC Name: 3-[1-(2-dimethylaminoethyloxy)-1-oxopropan-2-yl]sulfanyl-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid Traditional Name: 3-[[2-(2-dimethylaminoethyloxy)-2-keto-1-methyl-ethyl]thio]-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propionic acid Formula: C30H43NO5S MolecularWeight: 529.73112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCCN(C)C)SC(C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)C(C(=O)O)O

Isomeric SMILES

CC(C(=O)OCCN(C)C)SC(C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)C(C(=O)O)O

InChI

InChI=1S/C30H43NO5S/c1-23(30(35)36-22-21-31(2)3)37-28(27(32)29(33)34)26-20-14-13-19-25(26)18-12-7-5-4-6-9-15-24-16-10-8-11-17-24/h8,10-11,13-14,16-17,19-20,23,27-28,32H,4-7,9,12,15,18,21-22H2,1-3H3,(H,33,34)