ethyl 2-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidino]-2-keto-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C26H31N3O5S MolecularWeight: 497.60644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)N3CCCC3C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)N3CCC[C@H]3C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C26H31N3O5S/c1-5-28-22-11-9-17(25(31)34-6-2)14-20(22)27-26(28)35-16-24(30)29-13-7-8-21(29)19-15-18(32-3)10-12-23(19)33-4/h9-12,14-15,21H,5-8,13,16H2,1-4H3/t21-/m0/s1