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

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-chloranyl-2-nitro-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-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] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [(1S)-2-keto-1-methyl-2-[(4-phenylthiazol-2-yl)amino]ethyl] ester Formula: C19H14ClN3O5S MolecularWeight: 431.84956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClN3O5S/c1-11(28-18(25)14-8-7-13(20)9-16(14)23(26)27)17(24)22-19-21-15(10-29-19)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,22,24)/t11-/m0/s1