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

Systemtic Name: cyanomethyl 4-[2-[(5S)-4-oxidanylidene-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]ethanoylamino]benzoate Openeye Name: cyanomethyl 4-[[2-[(5S)-4-oxo-2-pyrrolidin-1-yl-thiazol-5-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(5S)-4-oxo-2-(1-pyrrolidinyl)-5-thiazolyl]ethyl]amino]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-[[2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5S)-4-keto-2-pyrrolidino-2-thiazolin-5-yl]acetyl]amino]benzoic acid cyanomethyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=O)C(S2)CC(=O)NC3=CC=C(C=C3)C(=O)OCC#N

Isomeric SMILES

C1CCN(C1)C2=NC(=O)[C@@H](S2)CC(=O)NC3=CC=C(C=C3)C(=O)OCC#N

InChI

InChI=1S/C18H18N4O4S/c19-7-10-26-17(25)12-3-5-13(6-4-12)20-15(23)11-14-16(24)21-18(27-14)22-8-1-2-9-22/h3-6,14H,1-2,8-11H2,(H,20,23)/t14-/m0/s1