methyl 1-(6-methyl-1,3-benzothiazol-2-yl)-5-propan-2-yl-pyrazole-4-carboxylate

Systemtic Name: methyl 1-(6-methyl-1,3-benzothiazol-2-yl)-5-propan-2-yl-pyrazole-4-carboxylate Openeye Name: methyl 5-isopropyl-1-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxylate CAS Name: 1-(6-methyl-1,3-benzothiazol-2-yl)-5-propan-2-yl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(6-methyl-1,3-benzothiazol-2-yl)-5-propan-2-ylpyrazole-4-carboxylate Traditional Name: 5-isopropyl-1-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxylic acid methyl ester Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3C(=C(C=N3)C(=O)OC)C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3C(=C(C=N3)C(=O)OC)C(C)C

InChI

InChI=1S/C16H17N3O2S/c1-9(2)14-11(15(20)21-4)8-17-19(14)16-18-12-6-5-10(3)7-13(12)22-16/h5-9H,1-4H3