2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[2-(3-bromophenyl)-5-methyl-oxazol-4-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[2-(3-bromophenyl)-5-methyl-4-oxazolyl]ethyl ester IUPAC Name: 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[2-(3-bromophenyl)-5-methyl-oxazol-4-yl]ethyl ester Formula: C19H18BrNO4S MolecularWeight: 436.31952

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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=C3)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrNO4S/c1-13-6-8-17(9-7-13)26(22,23)24-11-10-18-14(2)25-19(21-18)15-4-3-5-16(20)12-15/h3-9,12H,10-11H2,1-2H3