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

Systemtic Name: [2-oxidanylidene-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] 4-nitrobenzoate Openeye Name: [2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic 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] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-keto-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] ester Formula: C23H18N2O5S MolecularWeight: 434.46442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N2O5S/c26-22(14-30-23(27)17-10-12-18(13-11-17)25(28)29)24-19-8-4-5-9-21(19)31-15-20(24)16-6-2-1-3-7-16/h1-13,20H,14-15H2