4-[3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-2-oxidanyl-propyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-2-oxidanyl-propyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazine-1-carboxylic acid CAS Name: 4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazine-1-carboxylic acid Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)OCC(CN3CCN(CC3)C(=O)O)O

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)OCC(CN3CCN(CC3)C(=O)O)O

InChI

InChI=1S/C16H21N3O4S/c1-11-17-14-8-13(2-3-15(14)24-11)23-10-12(20)9-18-4-6-19(7-5-18)16(21)22/h2-3,8,12,20H,4-7,9-10H2,1H3,(H,21,22)