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

Systemtic Name: 1-benzothiophen-2-yl (2E,6Z)-3-methoxy-7-(2H-1,2-oxazin-6-yl)octa-2,6-dienoate Openeye Name: benzothiophen-2-yl (2E,6Z)-3-methoxy-7-(2H-oxazin-6-yl)octa-2,6-dienoate CAS Name: (2E,6Z)-3-methoxy-7-(2H-oxazin-6-yl)octa-2,6-dienoic acid 1-benzothiophen-2-yl ester IUPAC Name: 1-benzothiophen-2-yl (2E,6Z)-3-methoxy-7-(2H-oxazin-6-yl)octa-2,6-dienoate Traditional Name: (2E,6Z)-3-methoxy-7-(2H-oxazin-6-yl)octa-2,6-dienoic acid benzothiophen-2-yl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4S/c1-15(18-10-6-12-22-26-18)7-5-9-17(24-2)14-20(23)25-21-13-16-8-3-4-11-19(16)27-21/h3-4,6-8,10-14,22H,5,9H2,1-2H3/b15-7-,17-14+