ethyl 2-methyl-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrazole-3-carboxylate Openeye Name: ethyl 2-methyl-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrazole-3-carboxylate CAS Name: 2-methyl-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-oxomethyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrazole-3-carboxylate Traditional Name: 2-methyl-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrazole-3-carboxylic acid ethyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

InChI

InChI=1S/C22H20N4O3S/c1-4-29-22(28)18-12-17(25-26(18)3)20(27)23-15-8-6-14(7-9-15)21-24-16-10-5-13(2)11-19(16)30-21/h5-12H,4H2,1-3H3,(H,23,27)