2-(4-cyanophenoxy)ethyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: 2-(4-cyanophenoxy)ethyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: 2-(4-cyanophenoxy)ethyl 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid 2-(4-cyanophenoxy)ethyl ester IUPAC Name: 2-(4-cyanophenoxy)ethyl 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid 2-(4-cyanophenoxy)ethyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OCCOC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OCCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H22N2O4S/c23-15-17-7-9-18(10-8-17)27-13-14-28-22(26)19-5-1-2-6-20(19)29-16-21(25)24-11-3-4-12-24/h1-2,5-10H,3-4,11-14,16H2