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

Systemtic Name: [2-oxidanylidene-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-keto-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] ester Formula: C21H16N2O6S MolecularWeight: 424.42654

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2S1)C(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1C(N(C2=CC=CC=C2S1)C(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O6S/c24-19(12-28-21(25)17-10-11-20(29-17)23(26)27)22-15-8-4-5-9-18(15)30-13-16(22)14-6-2-1-3-7-14/h1-11,16H,12-13H2