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

Systemtic Name: ethyl 1-(1,3-benzothiazol-2-yl)-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(1,3-benzothiazol-2-yl)-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyrazole-4-carboxylate CAS Name: 1-(1,3-benzothiazol-2-yl)-5-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzothiazol-2-yl)-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyrazole-4-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-yl)-5-[[4-(2-hydroxyethyl)piperazino]methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3S/c1-2-28-19(27)15-13-21-25(20-22-16-5-3-4-6-18(16)29-20)17(15)14-24-9-7-23(8-10-24)11-12-26/h3-6,13,26H,2,7-12,14H2,1H3