2-[2-(2-chlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[2-(2-chlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[2-(2-chlorophenyl)-5-isopropyl-oxazol-4-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[2-(2-chlorophenyl)-5-propan-2-yl-4-oxazolyl]ethyl ester IUPAC Name: 2-[2-(2-chlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[2-(2-chlorophenyl)-5-isopropyl-oxazol-4-yl]ethyl ester Formula: C21H22ClNO4S MolecularWeight: 419.92168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=C(OC(=N2)C3=CC=CC=C3Cl)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=C(OC(=N2)C3=CC=CC=C3Cl)C(C)C

InChI

InChI=1S/C21H22ClNO4S/c1-14(2)20-19(23-21(27-20)17-6-4-5-7-18(17)22)12-13-26-28(24,25)16-10-8-15(3)9-11-16/h4-11,14H,12-13H2,1-3H3