ethyl 2-cyano-2-[5-[4-(dihexylcarbamoyl)-2-nitro-phenoxy]-4-methyl-thiophen-2-yl]ethanoate

Systemtic Name: ethyl 2-cyano-2-[5-[4-(dihexylcarbamoyl)-2-nitro-phenoxy]-4-methyl-thiophen-2-yl]ethanoate Openeye Name: ethyl 2-cyano-2-[5-[4-(dihexylcarbamoyl)-2-nitro-phenoxy]-4-methyl-2-thienyl]acetate CAS Name: 2-cyano-2-[5-[4-[(dihexylamino)-oxomethyl]-2-nitrophenoxy]-4-methyl-2-thiophenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-[5-[4-(dihexylcarbamoyl)-2-nitrophenoxy]-4-methylthiophen-2-yl]acetate Traditional Name: 2-cyano-2-[5-[4-(dihexylcarbamoyl)-2-nitro-phenoxy]-4-methyl-2-thienyl]acetic acid ethyl ester Formula: C29H39N3O6S MolecularWeight: 557.70146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=O)C1=CC(=C(C=C1)OC2=C(C=C(S2)C(C#N)C(=O)OCC)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN(CCCCCC)C(=O)C1=CC(=C(C=C1)OC2=C(C=C(S2)C(C#N)C(=O)OCC)C)[N+](=O)[O-]

InChI

InChI=1S/C29H39N3O6S/c1-5-8-10-12-16-31(17-13-11-9-6-2)27(33)22-14-15-25(24(19-22)32(35)36)38-29-21(4)18-26(39-29)23(20-30)28(34)37-7-3/h14-15,18-19,23H,5-13,16-17H2,1-4H3