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

Systemtic Name: ethyl 4-[1-methoxy-5-(4-methoxyphenyl)-1-oxidanylidene-pentan-2-yl]sulfanyl-3-nitro-benzoate Openeye Name: ethyl 4-[1-methoxycarbonyl-4-(4-methoxyphenyl)butyl]sulfanyl-3-nitro-benzoate CAS Name: 4-[[1-methoxy-5-(4-methoxyphenyl)-1-oxopentan-2-yl]thio]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[1-methoxy-5-(4-methoxyphenyl)-1-oxopentan-2-yl]sulfanyl-3-nitrobenzoate Traditional Name: 4-[[1-carbomethoxy-4-(4-methoxyphenyl)butyl]thio]-3-nitro-benzoic acid ethyl ester Formula: C22H25NO7S MolecularWeight: 447.5014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO7S/c1-4-30-21(24)16-10-13-19(18(14-16)23(26)27)31-20(22(25)29-3)7-5-6-15-8-11-17(28-2)12-9-15/h8-14,20H,4-7H2,1-3H3