1-benzothiophen-2-yl (2E,6E)-3-methoxy-2-methyl-7-(2H-1,2-oxazin-6-yl)octa-2,6-dienoate

Systemtic Name: 1-benzothiophen-2-yl (2E,6E)-3-methoxy-2-methyl-7-(2H-1,2-oxazin-6-yl)octa-2,6-dienoate Openeye Name: benzothiophen-2-yl (2E,6E)-3-methoxy-2-methyl-7-(2H-oxazin-6-yl)octa-2,6-dienoate CAS Name: (2E,6E)-3-methoxy-2-methyl-7-(2H-oxazin-6-yl)octa-2,6-dienoic acid 1-benzothiophen-2-yl ester IUPAC Name: 1-benzothiophen-2-yl (2E,6E)-3-methoxy-2-methyl-7-(2H-oxazin-6-yl)octa-2,6-dienoate Traditional Name: (2E,6E)-3-methoxy-2-methyl-7-(2H-oxazin-6-yl)octa-2,6-dienoic acid benzothiophen-2-yl ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=C(C)C(=O)OC1=CC2=CC=CC=C2S1)OC)C3=CC=CNO3

Isomeric SMILES

C/C(=C\CC/C(=C(/C)\C(=O)OC1=CC2=CC=CC=C2S1)/OC)/C3=CC=CNO3

InChI

InChI=1S/C22H23NO4S/c1-15(18-11-7-13-23-27-18)8-6-10-19(25-3)16(2)22(24)26-21-14-17-9-4-5-12-20(17)28-21/h4-5,7-9,11-14,23H,6,10H2,1-3H3/b15-8+,19-16+