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

Systemtic Name: ethyl 1-[4-[1,3-benzothiazol-2-yl(ethyl)carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[1,3-benzothiazol-2-yl(ethyl)carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[1,3-benzothiazol-2-yl(ethyl)amino]-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[1,3-benzothiazol-2-yl(ethyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-[1,3-benzothiazol-2-yl(ethyl)carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)N4C(=C(C=N4)C(=O)OCC)C

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)N4C(=C(C=N4)C(=O)OCC)C

InChI

InChI=1S/C23H22N4O3S/c1-4-26(23-25-19-8-6-7-9-20(19)31-23)21(28)16-10-12-17(13-11-16)27-15(3)18(14-24-27)22(29)30-5-2/h6-14H,4-5H2,1-3H3