ethyl 5-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]acetyl]amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C23H22N4O4S2 MolecularWeight: 482.57518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=C(C=NN3C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=C(C=NN3C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C23H22N4O4S2/c1-3-30-16-10-11-18-19(12-16)33-23(25-18)32-14-20(28)26-21-17(22(29)31-4-2)13-24-27(21)15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3,(H,26,28)