[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-keto-ethyl] ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)COC(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)COC(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O3S/c1-2-26(22-24-18-10-6-7-11-19(18)30-22)20(27)15-29-21(28)17-12-23-25(14-17)13-16-8-4-3-5-9-16/h3-12,14H,2,13,15H2,1H3