1-[1,3-benzothiazol-2-yl-(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(5-methyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(5-methyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(5-methyl-2-thienyl)methyl]nipecotic acid Formula: C19H20N2O2S2 MolecularWeight: 372.5043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=NC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=NC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O

InChI

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