tert-butyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)piperidine-1-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)piperidine-1-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)piperidine-1-carboxylic acid tert-butyl ester Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)SC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)SC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H25NO4S/c1-18(2,3)23-17(20)19-8-6-13(7-9-19)24-14-4-5-15-16(12-14)22-11-10-21-15/h4-5,12-13H,6-11H2,1-3H3