ethyl 4-[1-ethoxy-5-(4-methoxyphenyl)-1-oxidanylidene-pentan-2-yl]sulfanyl-3-nitro-benzoate

Systemtic Name: ethyl 4-[1-ethoxy-5-(4-methoxyphenyl)-1-oxidanylidene-pentan-2-yl]sulfanyl-3-nitro-benzoate Openeye Name: ethyl 4-[1-ethoxycarbonyl-4-(4-methoxyphenyl)butyl]sulfanyl-3-nitro-benzoate CAS Name: 4-[[1-ethoxy-5-(4-methoxyphenyl)-1-oxopentan-2-yl]thio]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[1-ethoxy-5-(4-methoxyphenyl)-1-oxopentan-2-yl]sulfanyl-3-nitrobenzoate Traditional Name: 4-[[1-carbethoxy-4-(4-methoxyphenyl)butyl]thio]-3-nitro-benzoic acid ethyl ester Formula: C23H27NO7S MolecularWeight: 461.52798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)SC(CCCC2=CC=C(C=C2)OC)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)SC(CCCC2=CC=C(C=C2)OC)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C23H27NO7S/c1-4-30-22(25)17-11-14-20(19(15-17)24(27)28)32-21(23(26)31-5-2)8-6-7-16-9-12-18(29-3)13-10-16/h9-15,21H,4-8H2,1-3H3