ethyl 2-[2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-1H-pyrazol-5-yl]ethanoate

Systemtic Name: ethyl 2-[2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-1H-pyrazol-5-yl]ethanoate Openeye Name: ethyl 2-[2-(1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetate CAS Name: 2-[2-(1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetate Traditional Name: 2-[1-(1,3-benzothiazol-2-yl)-5-keto-3-pyrazolin-3-yl]acetic acid ethyl ester Formula: C14H13N3O3S MolecularWeight: 303.33632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(=O)N(N1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)CC1=CC(=O)N(N1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H13N3O3S/c1-2-20-13(19)8-9-7-12(18)17(16-9)14-15-10-5-3-4-6-11(10)21-14/h3-7,16H,2,8H2,1H3