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

Systemtic Name: tert-butyl 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 3-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]piperidine-1-carboxylate CAS Name: 3-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]piperidine-1-carboxylate Traditional Name: 3-[4-(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)N1CCCC(C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

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