methyl 6-[2-oxidanylidene-3-(phenylmethyl)-4-[(phenylmethylsulfanyl)methyl]-1H-imidazol-5-yl]hexanoate

Systemtic Name: methyl 6-[2-oxidanylidene-3-(phenylmethyl)-4-[(phenylmethylsulfanyl)methyl]-1H-imidazol-5-yl]hexanoate Openeye Name: methyl 6-[3-benzyl-4-(benzylsulfanylmethyl)-2-oxo-1H-imidazol-5-yl]hexanoate CAS Name: 6-[2-oxo-3-(phenylmethyl)-4-[(phenylmethylthio)methyl]-1H-imidazol-5-yl]hexanoic acid methyl ester IUPAC Name: methyl 6-[3-benzyl-4-(benzylsulfanylmethyl)-2-oxo-1H-imidazol-5-yl]hexanoate Traditional Name: 6-[1-benzyl-5-[(benzylthio)methyl]-2-keto-4-imidazolin-4-yl]hexanoic acid methyl ester Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCC1=C(N(C(=O)N1)CC2=CC=CC=C2)CSCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCCCC1=C(N(C(=O)N1)CC2=CC=CC=C2)CSCC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O3S/c1-30-24(28)16-10-4-9-15-22-23(19-31-18-21-13-7-3-8-14-21)27(25(29)26-22)17-20-11-5-2-6-12-20/h2-3,5-8,11-14H,4,9-10,15-19H2,1H3,(H,26,29)