(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylacetate CAS Name: 2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]acetic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]acetic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

Isomeric SMILES

C1CCN(C1)C(=O)COC(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

InChI

InChI=1S/C22H22ClN3O3S/c23-17-8-9-19-18(12-17)24-22(26(19)13-16-6-2-1-3-7-16)30-15-21(28)29-14-20(27)25-10-4-5-11-25/h1-3,6-9,12H,4-5,10-11,13-15H2