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

Systemtic Name: 4-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-2-oxidanyl-butyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-hydroxy-4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]butyl]piperazine-1-carboxylic acid CAS Name: 4-[2-hydroxy-4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]butyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-hydroxy-4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]butyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-hydroxy-4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]butyl]piperazine-1-carboxylic acid Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4S/c1-12-18-15-10-14(2-3-16(15)25-12)24-9-4-13(21)11-19-5-7-20(8-6-19)17(22)23/h2-3,10,13,21H,4-9,11H2,1H3,(H,22,23)