ethyl 4-[2-oxidanyl-3-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-propoxy]benzoate

Systemtic Name: ethyl 4-[2-oxidanyl-3-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-propoxy]benzoate Openeye Name: ethyl 4-[3-(1-benzylimidazol-2-yl)sulfanyl-2-hydroxy-propoxy]benzoate CAS Name: 4-[2-hydroxy-3-[[1-(phenylmethyl)-2-imidazolyl]thio]propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(1-benzylimidazol-2-yl)sulfanyl-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[(1-benzylimidazol-2-yl)thio]-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(CSC2=NC=CN2CC3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(CSC2=NC=CN2CC3=CC=CC=C3)O

InChI

InChI=1S/C22H24N2O4S/c1-2-27-21(26)18-8-10-20(11-9-18)28-15-19(25)16-29-22-23-12-13-24(22)14-17-6-4-3-5-7-17/h3-13,19,25H,2,14-16H2,1H3