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

Systemtic Name: methyl 2-[2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-1H-pyrazol-5-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C13H11N3O3S MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O3S/c1-19-12(18)7-8-6-11(17)16(15-8)13-14-9-4-2-3-5-10(9)20-13/h2-6,15H,7H2,1H3