ethyl 1-(1,3-benzothiazol-2-yl)-5-[(4-methanoylpiperazin-1-yl)methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(1,3-benzothiazol-2-yl)-5-[(4-methanoylpiperazin-1-yl)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(1,3-benzothiazol-2-yl)-5-[(4-formylpiperazin-1-yl)methyl]pyrazole-4-carboxylate CAS Name: 1-(1,3-benzothiazol-2-yl)-5-[(4-formyl-1-piperazinyl)methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzothiazol-2-yl)-5-[(4-formylpiperazin-1-yl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-yl)-5-[(4-formylpiperazino)methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3S2)CN4CCN(CC4)C=O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3S2)CN4CCN(CC4)C=O

InChI

InChI=1S/C19H21N5O3S/c1-2-27-18(26)14-11-20-24(19-21-15-5-3-4-6-17(15)28-19)16(14)12-22-7-9-23(13-25)10-8-22/h3-6,11,13H,2,7-10,12H2,1H3