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

Systemtic Name: ethyl 1-[4-(1,3-benzothiazol-2-ylmethylcarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(1,3-benzothiazol-2-ylmethylcarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[(1,3-benzothiazol-2-ylmethylamino)-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1,3-benzothiazol-2-ylmethylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethylcarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H20N4O3S/c1-3-29-22(28)17-12-24-26(14(17)2)16-10-8-15(9-11-16)21(27)23-13-20-25-18-6-4-5-7-19(18)30-20/h4-12H,3,13H2,1-2H3,(H,23,27)