[(E)-[(3S)-3-(2-nitrophenyl)sulfanyl-2-oxidanylidene-cyclohexylidene]-phenyl-methyl] benzoate

Systemtic Name: [(E)-[(3S)-3-(2-nitrophenyl)sulfanyl-2-oxidanylidene-cyclohexylidene]-phenyl-methyl] benzoate Openeye Name: [(E)-[(3S)-3-(2-nitrophenyl)sulfanyl-2-oxo-cyclohexylidene]-phenyl-methyl] benzoate CAS Name: benzoic acid [(E)-[(3S)-3-[(2-nitrophenyl)thio]-2-oxocyclohexylidene]-phenylmethyl] ester IUPAC Name: [(E)-[(3S)-3-(2-nitrophenyl)sulfanyl-2-oxocyclohexylidene]-phenylmethyl] benzoate Traditional Name: benzoic acid [(E)-[(3S)-2-keto-3-[(2-nitrophenyl)thio]cyclohexylidene]-phenyl-methyl] ester Formula: C26H21NO5S MolecularWeight: 459.51364

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C(=C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C1)SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H](C(=O)/C(=C(\C2=CC=CC=C2)/OC(=O)C3=CC=CC=C3)/C1)SC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C26H21NO5S/c28-24-20(14-9-17-23(24)33-22-16-8-7-15-21(22)27(30)31)25(18-10-3-1-4-11-18)32-26(29)19-12-5-2-6-13-19/h1-8,10-13,15-16,23H,9,14,17H2/b25-20+/t23-/m0/s1