(2-cyanophenyl)methyl 3-[2-(4-oxidanylidene-2-piperidin-1-yl-1,3-thiazol-5-yl)ethanoylamino]benzoate

Systemtic Name: (2-cyanophenyl)methyl 3-[2-(4-oxidanylidene-2-piperidin-1-yl-1,3-thiazol-5-yl)ethanoylamino]benzoate Openeye Name: (2-cyanophenyl)methyl 3-[[2-[4-oxo-2-(1-piperidyl)thiazol-5-yl]acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[4-oxo-2-(1-piperidinyl)-5-thiazolyl]ethyl]amino]benzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-(4-keto-2-piperidino-2-thiazolin-5-yl)acetyl]amino]benzoic acid (2-cyanobenzyl) ester Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=O)C(S2)CC(=O)NC3=CC=CC(=C3)C(=O)OCC4=CC=CC=C4C#N

Isomeric SMILES

C1CCN(CC1)C2=NC(=O)C(S2)CC(=O)NC3=CC=CC(=C3)C(=O)OCC4=CC=CC=C4C#N

InChI

InChI=1S/C25H24N4O4S/c26-15-18-7-2-3-8-19(18)16-33-24(32)17-9-6-10-20(13-17)27-22(30)14-21-23(31)28-25(34-21)29-11-4-1-5-12-29/h2-3,6-10,13,21H,1,4-5,11-12,14,16H2,(H,27,30)