methyl 4-[[5-[1-acetyloxy-3-methoxy-3-oxidanylidene-2-(thiophen-2-ylmethyl)propyl]-2-butyl-imidazol-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[5-[1-acetyloxy-3-methoxy-3-oxidanylidene-2-(thiophen-2-ylmethyl)propyl]-2-butyl-imidazol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[5-[1-acetoxy-3-methoxy-3-oxo-2-(2-thienylmethyl)propyl]-2-butyl-imidazol-1-yl]methyl]benzoate CAS Name: 4-[[5-[1-acetyloxy-3-methoxy-3-oxo-2-(thiophen-2-ylmethyl)propyl]-2-butyl-1-imidazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[1-acetyloxy-3-methoxy-3-oxo-2-(thiophen-2-ylmethyl)propyl]-2-butylimidazol-1-yl]methyl]benzoate Traditional Name: 4-[[5-[1-acetoxy-3-keto-3-methoxy-2-(2-thenyl)propyl]-2-butyl-imidazol-1-yl]methyl]benzoic acid methyl ester Formula: C27H32N2O6S MolecularWeight: 512.61778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)OC)C(C(CC3=CC=CS3)C(=O)OC)OC(=O)C

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)OC)C(C(CC3=CC=CS3)C(=O)OC)OC(=O)C

InChI

InChI=1S/C27H32N2O6S/c1-5-6-9-24-28-16-23(29(24)17-19-10-12-20(13-11-19)26(31)33-3)25(35-18(2)30)22(27(32)34-4)15-21-8-7-14-36-21/h7-8,10-14,16,22,25H,5-6,9,15,17H2,1-4H3