1-[3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[3-(1,3-benzothiazol-2-yl)pyrazine-2-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[3-(1,3-benzothiazol-2-yl)-2-pyrazinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(1,3-benzothiazol-2-yl)pyrazine-2-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-(1,3-benzothiazol-2-yl)pyrazinoyl]isonipecotic acid Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H16N4O3S/c23-17(22-9-5-11(6-10-22)18(24)25)15-14(19-7-8-20-15)16-21-12-3-1-2-4-13(12)26-16/h1-4,7-8,11H,5-6,9-10H2,(H,24,25)