[2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] ester IUPAC Name: [2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-keto-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] ester Formula: C22H17BrN2O3S MolecularWeight: 469.35098

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2S1)C(=O)COC(=O)C3=CC(=CN=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H](N(C2=CC=CC=C2S1)C(=O)COC(=O)C3=CC(=CN=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H17BrN2O3S/c23-17-10-16(11-24-12-17)22(27)28-13-21(26)25-18-8-4-5-9-20(18)29-14-19(25)15-6-2-1-3-7-15/h1-12,19H,13-14H2/t19-/m1/s1