tert-butyl 3-acetamido-4-oxidanylidene-4-[4-[1-[(2-oxidanylidene-1,3-benzothiazol-3-yl)methyl]imidazol-2-yl]piperidin-1-yl]butanoate

Systemtic Name: tert-butyl 3-acetamido-4-oxidanylidene-4-[4-[1-[(2-oxidanylidene-1,3-benzothiazol-3-yl)methyl]imidazol-2-yl]piperidin-1-yl]butanoate Openeye Name: tert-butyl 3-acetamido-4-oxo-4-[4-[1-[(2-oxo-1,3-benzothiazol-3-yl)methyl]imidazol-2-yl]-1-piperidyl]butanoate CAS Name: 3-acetamido-4-oxo-4-[4-[1-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-2-imidazolyl]-1-piperidinyl]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-acetamido-4-oxo-4-[4-[1-[(2-oxo-1,3-benzothiazol-3-yl)methyl]imidazol-2-yl]piperidin-1-yl]butanoate Traditional Name: 3-acetamido-4-keto-4-[4-[1-[(2-keto-1,3-benzothiazol-3-yl)methyl]imidazol-2-yl]piperidino]butyric acid tert-butyl ester Formula: C26H33N5O5S MolecularWeight: 527.63572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C2=NC=CN2CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

CC(=O)NC(CC(=O)OC(C)(C)C)C(=O)N1CCC(CC1)C2=NC=CN2CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C26H33N5O5S/c1-17(32)28-19(15-22(33)36-26(2,3)4)24(34)29-12-9-18(10-13-29)23-27-11-14-30(23)16-31-20-7-5-6-8-21(20)37-25(31)35/h5-8,11,14,18-19H,9-10,12-13,15-16H2,1-4H3,(H,28,32)