[(2R)-1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-azanyl-4-nitro-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-azanyl-4-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [(2R)-1-oxo-1-[(4-phenyl-2-thiazolyl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-[(4-phenylthiazol-2-yl)amino]ethyl] ester Formula: C19H16N4O5S MolecularWeight: 412.41914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

C[C@H](C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C19H16N4O5S/c1-11(28-18(25)14-8-7-13(23(26)27)9-15(14)20)17(24)22-19-21-16(10-29-19)12-5-3-2-4-6-12/h2-11H,20H2,1H3,(H,21,22,24)/t11-/m1/s1