ethyl 1-(1,3-benzothiazol-4-yl)-5-cyclopropyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(1,3-benzothiazol-4-yl)-5-cyclopropyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-(1,3-benzothiazol-4-yl)-5-cyclopropyl-pyrazole-4-carboxylate CAS Name: 1-(1,3-benzothiazol-4-yl)-5-cyclopropyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzothiazol-4-yl)-5-cyclopropylpyrazole-4-carboxylate Traditional Name: 1-(1,3-benzothiazol-4-yl)-5-cyclopropyl-pyrazole-4-carboxylic acid ethyl ester Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C3C(=CC=C2)SC=N3)C4CC4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C3C(=CC=C2)SC=N3)C4CC4

InChI

InChI=1S/C16H15N3O2S/c1-2-21-16(20)11-8-18-19(15(11)10-6-7-10)12-4-3-5-13-14(12)17-9-22-13/h3-5,8-10H,2,6-7H2,1H3