[(Z)-[2-morpholin-4-yl-3-(2-nitrophenyl)sulfanyl-cyclohex-2-en-1-ylidene]-phenyl-methyl] benzoate

Systemtic Name: [(Z)-[2-morpholin-4-yl-3-(2-nitrophenyl)sulfanyl-cyclohex-2-en-1-ylidene]-phenyl-methyl] benzoate Openeye Name: [(Z)-[2-morpholino-3-(2-nitrophenyl)sulfanyl-cyclohex-2-en-1-ylidene]-phenyl-methyl] benzoate CAS Name: benzoic acid [(Z)-[2-(4-morpholinyl)-3-[(2-nitrophenyl)thio]-1-cyclohex-2-enylidene]-phenylmethyl] ester IUPAC Name: [(Z)-[2-morpholin-4-yl-3-(2-nitrophenyl)sulfanylcyclohex-2-en-1-ylidene]-phenylmethyl] benzoate Traditional Name: benzoic acid [(Z)-[2-morpholino-3-[(2-nitrophenyl)thio]cyclohex-2-en-1-ylidene]-phenyl-methyl] ester Formula: C30H28N2O5S MolecularWeight: 528.61872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C1)N4CCOCC4)SC5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1CC(=C(/C(=C(/C2=CC=CC=C2)\OC(=O)C3=CC=CC=C3)/C1)N4CCOCC4)SC5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C30H28N2O5S/c33-30(23-12-5-2-6-13-23)37-29(22-10-3-1-4-11-22)24-14-9-17-27(28(24)31-18-20-36-21-19-31)38-26-16-8-7-15-25(26)32(34)35/h1-8,10-13,15-16H,9,14,17-21H2/b29-24-