[2-(4-chlorophenyl)-2-(2-imidazol-1-ylethyl)-1,3-oxathiolan-5-yl]methyl benzoate

Systemtic Name: [2-(4-chlorophenyl)-2-(2-imidazol-1-ylethyl)-1,3-oxathiolan-5-yl]methyl benzoate Openeye Name: [2-(4-chlorophenyl)-2-(2-imidazol-1-ylethyl)-1,3-oxathiolan-5-yl]methyl benzoate CAS Name: benzoic acid [2-(4-chlorophenyl)-2-[2-(1-imidazolyl)ethyl]-1,3-oxathiolan-5-yl]methyl ester IUPAC Name: [2-(4-chlorophenyl)-2-(2-imidazol-1-ylethyl)-1,3-oxathiolan-5-yl]methyl benzoate Traditional Name: benzoic acid [2-(4-chlorophenyl)-2-(2-imidazol-1-ylethyl)-1,3-oxathiolan-5-yl]methyl ester Formula: C22H21ClN2O3S MolecularWeight: 428.93174

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(S1)(CCN2C=CN=C2)C3=CC=C(C=C3)Cl)COC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(OC(S1)(CCN2C=CN=C2)C3=CC=C(C=C3)Cl)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21ClN2O3S/c23-19-8-6-18(7-9-19)22(10-12-25-13-11-24-16-25)28-20(15-29-22)14-27-21(26)17-4-2-1-3-5-17/h1-9,11,13,16,20H,10,12,14-15H2