5-ethylsulfonyl-2-[(E)-2-[4-(3-methylbutoxy)phenyl]ethenyl]-1,3-benzoxazole

Systemtic Name: 5-ethylsulfonyl-2-[(E)-2-[4-(3-methylbutoxy)phenyl]ethenyl]-1,3-benzoxazole Openeye Name: 5-ethylsulfonyl-2-[(E)-2-(4-isopentyloxyphenyl)vinyl]-1,3-benzoxazole CAS Name: 5-ethylsulfonyl-2-[(E)-2-[4-(3-methylbutoxy)phenyl]ethenyl]-1,3-benzoxazole IUPAC Name: 5-ethylsulfonyl-2-[(E)-2-[4-(3-methylbutoxy)phenyl]ethenyl]-1,3-benzoxazole Traditional Name: 5-esyl-2-[(E)-2-(4-isoamoxyphenyl)vinyl]-1,3-benzoxazole Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)C=CC3=CC=C(C=C3)OCCC(C)C

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)/C=C/C3=CC=C(C=C3)OCCC(C)C

InChI

InChI=1S/C22H25NO4S/c1-4-28(24,25)19-10-11-21-20(15-19)23-22(27-21)12-7-17-5-8-18(9-6-17)26-14-13-16(2)3/h5-12,15-16H,4,13-14H2,1-3H3/b12-7+