(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate CAS Name: 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate Traditional Name: 2-(3-keto-4H-1,4-benzothiazin-2-yl)acetic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)CC2C(=O)NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)CC2C(=O)NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C22H18N4O3S/c1-14-16(12-23)18(26(25-14)15-7-3-2-4-8-15)13-29-21(27)11-20-22(28)24-17-9-5-6-10-19(17)30-20/h2-10,20H,11,13H2,1H3,(H,24,28)