(1-phenylpyrazol-4-yl)methyl 2-[(2R)-6-chloranyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 2-[(2R)-6-chloranyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate CAS Name: 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate Traditional Name: 2-[(2R)-6-chloro-3-keto-4H-1,4-benzothiazin-2-yl]acetic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C20H16ClN3O3S MolecularWeight: 413.87734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)COC(=O)CC3C(=O)NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)COC(=O)C[C@@H]3C(=O)NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C20H16ClN3O3S/c21-14-6-7-17-16(8-14)23-20(26)18(28-17)9-19(25)27-12-13-10-22-24(11-13)15-4-2-1-3-5-15/h1-8,10-11,18H,9,12H2,(H,23,26)/t18-/m1/s1