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

Systemtic Name: cyanomethyl 4-[2-[(5S)-4-oxidanylidene-2-piperidin-1-yl-1,3-thiazol-5-yl]ethanoylamino]benzoate Openeye Name: cyanomethyl 4-[[2-[(5S)-4-oxo-2-(1-piperidyl)thiazol-5-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(5S)-4-oxo-2-(1-piperidinyl)-5-thiazolyl]ethyl]amino]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5S)-4-keto-2-piperidino-2-thiazolin-5-yl]acetyl]amino]benzoic acid cyanomethyl ester Formula: C19H20N4O4S MolecularWeight: 400.4515

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCN(CC1)C2=NC(=O)[C@@H](S2)CC(=O)NC3=CC=C(C=C3)C(=O)OCC#N

InChI

InChI=1S/C19H20N4O4S/c20-8-11-27-18(26)13-4-6-14(7-5-13)21-16(24)12-15-17(25)22-19(28-15)23-9-2-1-3-10-23/h4-7,15H,1-3,9-12H2,(H,21,24)/t15-/m0/s1