[(1R)-1-(3-nitrophenyl)ethyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCN2C(=O)CSC3=CC=CC=C32

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCN2C(=O)CSC3=CC=CC=C32

InChI

InChI=1S/C19H18N2O5S/c1-13(14-5-4-6-15(11-14)21(24)25)26-19(23)9-10-20-16-7-2-3-8-17(16)27-12-18(20)22/h2-8,11,13H,9-10,12H2,1H3/t13-/m1/s1