ethyl 4-[2-[2-(2-cyanophenyl)sulfanylphenyl]carbonyloxyethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-(2-cyanophenyl)sulfanylphenyl]carbonyloxyethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-(2-cyanophenyl)sulfanylbenzoyl]oxyacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[2-[(2-cyanophenyl)thio]phenyl]-oxomethoxy]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(2-cyanophenyl)sulfanylbenzoyl]oxyacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-[(2-cyanophenyl)thio]benzoyl]oxyacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C23H23N3O5S/c1-2-30-23(29)26-13-11-25(12-14-26)21(27)16-31-22(28)18-8-4-6-10-20(18)32-19-9-5-3-7-17(19)15-24/h3-10H,2,11-14,16H2,1H3