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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-[2-[(5S)-4-oxidanylidene-2-piperidin-1-yl-1,3-thiazol-5-yl]ethanoylamino]benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 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 (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 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 (3-cyano-4-imino-2-keto-pentyl) ester Formula: C23H25N5O5S MolecularWeight: 483.5401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O5S/c1-14(25)17(12-24)18(29)13-33-22(32)15-5-7-16(8-6-15)26-20(30)11-19-21(31)27-23(34-19)28-9-3-2-4-10-28/h5-8,17,19,25H,2-4,9-11,13H2,1H3,(H,26,30)/t17?,19-/m0/s1