(4-pyrazol-1-ylphenyl)methyl 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate Openeye Name: (4-pyrazol-1-ylphenyl)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-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)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-pyrazol-1-ylbenzyl) ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H17N3O3S/c24-19(12-18-20(25)22-16-4-1-2-5-17(16)27-18)26-13-14-6-8-15(9-7-14)23-11-3-10-21-23/h1-11,18H,12-13H2,(H,22,25)