tert-butyl 4-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]piperidine-1-carboxylate CAS Name: 4-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]piperidine-1-carboxylate Traditional Name: 4-[(5-chloro-1,3-benzothiazol-2-yl)thio]piperidine-1-carboxylic acid tert-butyl ester Formula: C17H21ClN2O2S2 MolecularWeight: 384.94384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)SC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)SC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C17H21ClN2O2S2/c1-17(2,3)22-16(21)20-8-6-12(7-9-20)23-15-19-13-10-11(18)4-5-14(13)24-15/h4-5,10,12H,6-9H2,1-3H3