[2-oxidanylidene-2-[(phenylmethyl)-[2,2,2-tris(fluoranyl)ethyl]amino]ethyl] 2-[(2S)-6-chloranyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-[2,2,2-tris(fluoranyl)ethyl]amino]ethyl] 2-[(2S)-6-chloranyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoate Openeye Name: [2-[benzyl(2,2,2-trifluoroethyl)amino]-2-oxo-ethyl] 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate CAS Name: 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetic acid [2-oxo-2-[(phenylmethyl)-(2,2,2-trifluoroethyl)amino]ethyl] ester IUPAC Name: [2-[benzyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate Traditional Name: 2-[(2S)-6-chloro-3-keto-4H-1,4-benzothiazin-2-yl]acetic acid [2-[benzyl(2,2,2-trifluoroethyl)amino]-2-keto-ethyl] ester Formula: C21H18ClF3N2O4S MolecularWeight: 486.89183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC(F)(F)F)C(=O)COC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CC(F)(F)F)C(=O)COC(=O)C[C@H]2C(=O)NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C21H18ClF3N2O4S/c22-14-6-7-16-15(8-14)26-20(30)17(32-16)9-19(29)31-11-18(28)27(12-21(23,24)25)10-13-4-2-1-3-5-13/h1-8,17H,9-12H2,(H,26,30)/t17-/m0/s1