3-methyl-4-[3-[(2-methyl-1,3-benzothiazol-6-yl)oxy]-2-oxidanyl-propyl]piperazine-1-carboxylic acid

Systemtic Name: 3-methyl-4-[3-[(2-methyl-1,3-benzothiazol-6-yl)oxy]-2-oxidanyl-propyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-6-yl)oxy]propyl]-3-methyl-piperazine-1-carboxylic acid CAS Name: 4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-6-yl)oxy]propyl]-3-methyl-1-piperazinecarboxylic acid IUPAC Name: 4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-6-yl)oxy]propyl]-3-methylpiperazine-1-carboxylic acid Traditional Name: 4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-6-yl)oxy]propyl]-3-methyl-piperazine-1-carboxylic acid Formula: C17H23N3O4S MolecularWeight: 365.44722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC(COC2=CC3=C(C=C2)N=C(S3)C)O)C(=O)O

Isomeric SMILES

CC1CN(CCN1CC(COC2=CC3=C(C=C2)N=C(S3)C)O)C(=O)O

InChI

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