ethyl 2-[1-(1,3-benzothiazol-2-yl)-3,5-dimethyl-pyrazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[1-(1,3-benzothiazol-2-yl)-3,5-dimethyl-pyrazol-4-yl]ethanoate Openeye Name: ethyl 2-[1-(1,3-benzothiazol-2-yl)-3,5-dimethyl-pyrazol-4-yl]acetate CAS Name: 2-[1-(1,3-benzothiazol-2-yl)-3,5-dimethyl-4-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(1,3-benzothiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetate Traditional Name: 2-[1-(1,3-benzothiazol-2-yl)-3,5-dimethyl-pyrazol-4-yl]acetic acid ethyl ester Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(N(N=C1C)C2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCOC(=O)CC1=C(N(N=C1C)C2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C16H17N3O2S/c1-4-21-15(20)9-12-10(2)18-19(11(12)3)16-17-13-7-5-6-8-14(13)22-16/h5-8H,4,9H2,1-3H3