methyl 2-[2-(1,3-benzothiazol-2-yl)-4-ethanoyl-3-oxidanylidene-1H-pyrazol-5-yl]ethanoate

Systemtic Name: methyl 2-[2-(1,3-benzothiazol-2-yl)-4-ethanoyl-3-oxidanylidene-1H-pyrazol-5-yl]ethanoate Openeye Name: methyl 2-[4-acetyl-2-(1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetate CAS Name: 2-[4-acetyl-2-(1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-acetyl-2-(1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetate Traditional Name: 2-[4-acetyl-1-(1,3-benzothiazol-2-yl)-5-keto-3-pyrazolin-3-yl]acetic acid methyl ester Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC

Isomeric SMILES

CC(=O)C1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC

InChI

InChI=1S/C15H13N3O4S/c1-8(19)13-10(7-12(20)22-2)17-18(14(13)21)15-16-9-5-3-4-6-11(9)23-15/h3-6,17H,7H2,1-2H3