ethyl 4-[3-[4,5-bis(4-methoxyphenyl)-1-propyl-imidazol-2-yl]sulfanylpropylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[3-[4,5-bis(4-methoxyphenyl)-1-propyl-imidazol-2-yl]sulfanylpropylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[3-[4,5-bis(4-methoxyphenyl)-1-propyl-imidazol-2-yl]sulfanylpropylamino]-4-oxo-butanoate CAS Name: 4-[3-[[4,5-bis(4-methoxyphenyl)-1-propyl-2-imidazolyl]thio]propylamino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropylamino]-4-oxobutanoate Traditional Name: 4-[3-[[4,5-bis(4-methoxyphenyl)-1-propyl-imidazol-2-yl]thio]propylamino]-4-keto-butyric acid ethyl ester Formula: C29H37N3O5S MolecularWeight: 539.68618

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(N=C1SCCCNC(=O)CCC(=O)OCC)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCN1C(=C(N=C1SCCCNC(=O)CCC(=O)OCC)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C29H37N3O5S/c1-5-19-32-28(22-10-14-24(36-4)15-11-22)27(21-8-12-23(35-3)13-9-21)31-29(32)38-20-7-18-30-25(33)16-17-26(34)37-6-2/h8-15H,5-7,16-20H2,1-4H3,(H,30,33)