2-methylpropyl 4-[(2E)-2-decoxyimino-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propoxy]benzoate

Systemtic Name: 2-methylpropyl 4-[(2E)-2-decoxyimino-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propoxy]benzoate Openeye Name: isobutyl 4-[(2E)-2-decoxyimino-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[(2E)-2-decoxyimino-3-[(4,5-diphenyl-1H-imidazol-2-yl)thio]propoxy]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(2E)-2-decoxyimino-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[(2E)-2-decyloximino-3-[(4,5-diphenyl-1H-imidazol-2-yl)thio]propoxy]benzoic acid isobutyl ester Formula: C39H49N3O4S MolecularWeight: 655.88906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCON=C(COC1=CC=C(C=C1)C(=O)OCC(C)C)CSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCO/N=C(\COC1=CC=C(C=C1)C(=O)OCC(C)C)/CSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C39H49N3O4S/c1-4-5-6-7-8-9-10-17-26-46-42-34(28-44-35-24-22-33(23-25-35)38(43)45-27-30(2)3)29-47-39-40-36(31-18-13-11-14-19-31)37(41-39)32-20-15-12-16-21-32/h11-16,18-25,30H,4-10,17,26-29H2,1-3H3,(H,40,41)/b42-34+