[2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-[3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [2-[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-[3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl] ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)OCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C=C(C=N1)C(=O)OCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H20N4O3S/c1-22-10-14(9-20-22)19(25)26-12-17(24)23-8-4-5-13(11-23)18-21-15-6-2-3-7-16(15)27-18/h2-3,6-7,9-10,13H,4-5,8,11-12H2,1H3