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

Systemtic Name: 2-oxidanylidenepropyl 4-[2-[(5S)-4-oxidanylidene-2-piperidin-1-yl-1,3-thiazol-5-yl]ethanoylamino]benzoate Openeye Name: acetonyl 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 2-oxopropyl ester IUPAC Name: 2-oxopropyl 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 acetonyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-13(24)12-28-19(27)14-5-7-15(8-6-14)21-17(25)11-16-18(26)22-20(29-16)23-9-3-2-4-10-23/h5-8,16H,2-4,9-12H2,1H3,(H,21,25)/t16-/m0/s1