ethyl 2-[2-[(3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]benzimidazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]benzimidazol-1-yl]ethanoate Openeye Name: ethyl 2-[2-[(3S)-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidin-3-yl]benzimidazol-1-yl]acetate CAS Name: 2-[2-[(3S)-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinyl]-1-benzimidazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(3S)-5-keto-1-[3-(methylthio)phenyl]pyrrolidin-3-yl]benzimidazol-1-yl]acetic acid ethyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2N=C1C3CC(=O)N(C3)C4=CC(=CC=C4)SC

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2N=C1[C@H]3CC(=O)N(C3)C4=CC(=CC=C4)SC

InChI

InChI=1S/C22H23N3O3S/c1-3-28-21(27)14-25-19-10-5-4-9-18(19)23-22(25)15-11-20(26)24(13-15)16-7-6-8-17(12-16)29-2/h4-10,12,15H,3,11,13-14H2,1-2H3/t15-/m0/s1