methyl 3-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-benzothiazine-6-carboxylate

Systemtic Name: methyl 3-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-benzothiazine-6-carboxylate Openeye Name: methyl 3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-benzothiazine-6-carboxylic acid methyl ester IUPAC Name: methyl 3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4-[3-(trifluoromethyl)benzyl]-1,4-benzothiazine-6-carboxylic acid methyl ester Formula: C18H14F3NO3S MolecularWeight: 381.36887

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H14F3NO3S/c1-25-17(24)12-5-6-15-14(8-12)22(16(23)10-26-15)9-11-3-2-4-13(7-11)18(19,20)21/h2-8H,9-10H2,1H3