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

Systemtic Name: tert-butyl 2-[4-[1-[(2-oxidanylidene-1,3-benzothiazol-3-yl)methyl]imidazol-2-yl]piperidin-1-yl]carbonylbenzoate Openeye Name: tert-butyl 2-[4-[1-[(2-oxo-1,3-benzothiazol-3-yl)methyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate CAS Name: 2-[oxo-[4-[1-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-2-imidazolyl]-1-piperidinyl]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[1-[(2-oxo-1,3-benzothiazol-3-yl)methyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate Traditional Name: 2-[4-[1-[(2-keto-1,3-benzothiazol-3-yl)methyl]imidazol-2-yl]piperidine-1-carbonyl]benzoic acid tert-butyl ester Formula: C28H30N4O4S MolecularWeight: 518.6272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC=C1C(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5SC4=O

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1C(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5SC4=O

InChI

InChI=1S/C28H30N4O4S/c1-28(2,3)36-26(34)21-9-5-4-8-20(21)25(33)30-15-12-19(13-16-30)24-29-14-17-31(24)18-32-22-10-6-7-11-23(22)37-27(32)35/h4-11,14,17,19H,12-13,15-16,18H2,1-3H3