methyl 5-oxidanylidene-6-[[2-oxidanylidene-1,3-bis(phenylmethyl)imidazol-4-yl]methylsulfanyl]hexanoate

Systemtic Name: methyl 5-oxidanylidene-6-[[2-oxidanylidene-1,3-bis(phenylmethyl)imidazol-4-yl]methylsulfanyl]hexanoate Openeye Name: methyl 6-[(1,3-dibenzyl-2-oxo-imidazol-4-yl)methylsulfanyl]-5-oxo-hexanoate CAS Name: 5-oxo-6-[[2-oxo-1,3-bis(phenylmethyl)-4-imidazolyl]methylthio]hexanoic acid methyl ester IUPAC Name: methyl 6-[(1,3-dibenzyl-2-oxoimidazol-4-yl)methylsulfanyl]-5-oxohexanoate Traditional Name: 6-[(1,3-dibenzyl-2-keto-4-imidazolin-4-yl)methylthio]-5-keto-hexanoic acid methyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)CSCC1=CN(C(=O)N1CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCC(=O)CSCC1=CN(C(=O)N1CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O4S/c1-31-24(29)14-8-13-23(28)19-32-18-22-17-26(15-20-9-4-2-5-10-20)25(30)27(22)16-21-11-6-3-7-12-21/h2-7,9-12,17H,8,13-16,18-19H2,1H3