[(2S)-1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-nitrobenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-nitrobenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [(2S)-1-oxo-1-[(4-phenyl-2-thiazolyl)amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [(1S)-2-keto-1-methyl-2-[(4-phenylthiazol-2-yl)amino]ethyl] ester Formula: C19H15N3O5S MolecularWeight: 397.4045

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O5S/c1-12(27-18(24)14-9-5-6-10-16(14)22(25)26)17(23)21-19-20-15(11-28-19)13-7-3-2-4-8-13/h2-12H,1H3,(H,20,21,23)/t12-/m0/s1