(4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C26H22N2O3S/c27-17-21-7-1-3-9-23(21)32-24-10-4-2-8-22(24)26(30)31-18-19-11-13-20(14-12-19)25(29)28-15-5-6-16-28/h1-4,7-14H,5-6,15-16,18H2