tert-butyl (3S)-3-methyl-4-[(2R)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-2-oxidanyl-propyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-methyl-4-[(2R)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-2-oxidanyl-propyl]piperazine-1-carboxylate Openeye Name: tert-butyl (3S)-4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-3-methyl-piperazine-1-carboxylate CAS Name: (3S)-4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-3-methyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-3-methylpiperazine-1-carboxylate Traditional Name: (3S)-4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-3-methyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC(COC2=CC3=C(C=C2)SC(=N3)C)O)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H]1CN(CCN1C[C@H](COC2=CC3=C(C=C2)SC(=N3)C)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N3O4S/c1-14-11-24(20(26)28-21(3,4)5)9-8-23(14)12-16(25)13-27-17-6-7-19-18(10-17)22-15(2)29-19/h6-7,10,14,16,25H,8-9,11-13H2,1-5H3/t14-,16+/m0/s1