O1-ethyl O5-methyl (2S)-2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]-2-butyl-pentanedioate

Systemtic Name: O1-ethyl O5-methyl (2S)-2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]-2-butyl-pentanedioate Openeye Name: O1-ethyl O5-methyl (2S)-2-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-2-butyl-pentanedioate CAS Name: (2S)-2-[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]-2-butylpentanedioic acid O1-ethyl ester O5-methyl ester IUPAC Name: 1-O-ethyl 5-O-methyl (2S)-2-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-2-butylpentanedioate Traditional Name: (2S)-2-[2-(1H-benzimidazol-2-ylthio)acetyl]-2-butyl-glutaric acid O1-ethyl ester O5-methyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(=O)OC)(C(=O)CSC1=NC2=CC=CC=C2N1)C(=O)OCC

Isomeric SMILES

CCCC[C@](CCC(=O)OC)(C(=O)CSC1=NC2=CC=CC=C2N1)C(=O)OCC

InChI

InChI=1S/C21H28N2O5S/c1-4-6-12-21(19(26)28-5-2,13-11-18(25)27-3)17(24)14-29-20-22-15-9-7-8-10-16(15)23-20/h7-10H,4-6,11-14H2,1-3H3,(H,22,23)/t21-/m0/s1