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

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

Systemtic Name:3-methyl-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]-3-methyl-piperazine-1-carboxylic acid
CAS Name:4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-3-methyl-1-piperazinecarboxylic acid
IUPAC Name:4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-3-methylpiperazine-1-carboxylic acid
Traditional Name:4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-3-methyl-piperazine-1-carboxylic acid
Formula: C17H23N3O4S
MolecularWeight: 365.44722
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H23N3O4S/c1-11-8-20(17(22)23)6-5-19(11)9-13(21)10-24-14-3-4-16-15(7-14)18-12(2)25-16/h3-4,7,11,13,21H,5-6,8-10H2,1-2H3,(H,22,23)


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