[(1R)-1-cyanoethyl] 3-[2-[(5S)-4-oxidanylidene-2-piperidin-1-yl-1,3-thiazol-5-yl]ethanoylamino]benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 3-[2-[(5S)-4-oxidanylidene-2-piperidin-1-yl-1,3-thiazol-5-yl]ethanoylamino]benzoate Openeye Name: [(1R)-1-cyanoethyl] 3-[[2-[(5S)-4-oxo-2-(1-piperidyl)thiazol-5-yl]acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(5S)-4-oxo-2-(1-piperidinyl)-5-thiazolyl]ethyl]amino]benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(5S)-4-keto-2-piperidino-2-thiazolin-5-yl]acetyl]amino]benzoic acid [(1R)-1-cyanoethyl] ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=CC=C1)NC(=O)CC2C(=O)N=C(S2)N3CCCCC3

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC(=CC=C1)NC(=O)C[C@H]2C(=O)N=C(S2)N3CCCCC3

InChI

InChI=1S/C20H22N4O4S/c1-13(12-21)28-19(27)14-6-5-7-15(10-14)22-17(25)11-16-18(26)23-20(29-16)24-8-3-2-4-9-24/h5-7,10,13,16H,2-4,8-9,11H2,1H3,(H,22,25)/t13-,16+/m1/s1