tert-butyl 4-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]piperidine-1-carboxylate CAS Name: 4-[[2-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]piperidine-1-carboxylate Traditional Name: 4-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H31N3O3S/c1-23(2,3)29-22(28)25-14-11-16(12-15-25)21(27)26-13-7-6-9-18(26)20-24-17-8-4-5-10-19(17)30-20/h4-5,8,10,16,18H,6-7,9,11-15H2,1-3H3