[4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] 1-methylpyrazole-3-carboxylate

Systemtic Name: [4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] 1-methylpyrazole-3-carboxylate Openeye Name: [4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] 1-methylpyrazole-3-carboxylate CAS Name: 1-methyl-3-pyrazolecarboxylic acid [4-[[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] 1-methylpyrazole-3-carboxylate Traditional Name: 1-methylpyrazole-3-carboxylic acid [4-[(6-mesyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] ester Formula: C20H16N4O5S2 MolecularWeight: 456.49484

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)OC2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CN1C=CC(=N1)C(=O)OC2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C20H16N4O5S2/c1-24-10-9-16(23-24)19(26)29-13-5-3-12(4-6-13)18(25)22-20-21-15-8-7-14(31(2,27)28)11-17(15)30-20/h3-11H,1-2H3,(H,21,22,25)