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

Systemtic Name: 5-ethylsulfonyl-2-[(E)-2-(3-methoxy-4-propoxy-phenyl)ethenyl]-1,3-benzoxazole Openeye Name: 5-ethylsulfonyl-2-[(E)-2-(3-methoxy-4-propoxy-phenyl)vinyl]-1,3-benzoxazole CAS Name: 5-ethylsulfonyl-2-[(E)-2-(3-methoxy-4-propoxyphenyl)ethenyl]-1,3-benzoxazole IUPAC Name: 5-ethylsulfonyl-2-[(E)-2-(3-methoxy-4-propoxyphenyl)ethenyl]-1,3-benzoxazole Traditional Name: 5-esyl-2-[(E)-2-(3-methoxy-4-propoxy-phenyl)vinyl]-1,3-benzoxazole Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)CC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C2=NC3=C(O2)C=CC(=C3)S(=O)(=O)CC)OC

InChI

InChI=1S/C21H23NO5S/c1-4-12-26-19-9-6-15(13-20(19)25-3)7-11-21-22-17-14-16(28(23,24)5-2)8-10-18(17)27-21/h6-11,13-14H,4-5,12H2,1-3H3/b11-7+