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

Systemtic Name: 2-[(E)-2-(4-butoxy-3-methoxy-phenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole Openeye Name: 2-[(E)-2-(4-butoxy-3-methoxy-phenyl)vinyl]-5-ethylsulfonyl-1,3-benzoxazole CAS Name: 2-[(E)-2-(4-butoxy-3-methoxyphenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole IUPAC Name: 2-[(E)-2-(4-butoxy-3-methoxyphenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole Traditional Name: 2-[(E)-2-(4-butoxy-3-methoxy-phenyl)vinyl]-5-esyl-1,3-benzoxazole Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)CC)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C2=NC3=C(O2)C=CC(=C3)S(=O)(=O)CC)OC

InChI

InChI=1S/C22H25NO5S/c1-4-6-13-27-20-10-7-16(14-21(20)26-3)8-12-22-23-18-15-17(29(24,25)5-2)9-11-19(18)28-22/h7-12,14-15H,4-6,13H2,1-3H3/b12-8+