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

Systemtic Name: [(1R)-1-cyanoethyl] 4-[2-[(5S)-4-oxidanylidene-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]ethanoylamino]benzoate Openeye Name: [(1R)-1-cyanoethyl] 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 [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 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 [(1R)-1-cyanoethyl] ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)N3CCCC3

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC=C(C=C1)NC(=O)C[C@H]2C(=O)N=C(S2)N3CCCC3

InChI

InChI=1S/C19H20N4O4S/c1-12(11-20)27-18(26)13-4-6-14(7-5-13)21-16(24)10-15-17(25)22-19(28-15)23-8-2-3-9-23/h4-7,12,15H,2-3,8-10H2,1H3,(H,21,24)/t12-,15+/m1/s1