1-[1,3-benzothiazol-2-yl-(3-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(3-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(3-methyl-2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(3-methyl-2-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(3-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(3-methyl-2-thienyl)methyl]pipecolinic acid Formula: C19H20N2O2S2 MolecularWeight: 372.5043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=NC3=CC=CC=C3S2)N4CCCCC4C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=NC3=CC=CC=C3S2)N4CCCCC4C(=O)O

InChI

InChI=1S/C19H20N2O2S2/c1-12-9-11-24-17(12)16(21-10-5-4-7-14(21)19(22)23)18-20-13-6-2-3-8-15(13)25-18/h2-3,6,8-9,11,14,16H,4-5,7,10H2,1H3,(H,22,23)