ethyl (3aS,4S)-7-(1,2-benzoxazol-3-yl)-2-ethenylidene-4-methyl-6-oxidanylidene-4,5-dihydro-3H-1-benzofuran-3a-carboxylate

Systemtic Name: ethyl (3aS,4S)-7-(1,2-benzoxazol-3-yl)-2-ethenylidene-4-methyl-6-oxidanylidene-4,5-dihydro-3H-1-benzofuran-3a-carboxylate Openeye Name: ethyl (3aS,4S)-7-(1,2-benzoxazol-3-yl)-4-methyl-6-oxo-2-vinylidene-4,5-dihydro-3H-benzofuran-3a-carboxylate CAS Name: (3aS,4S)-7-(1,2-benzoxazol-3-yl)-2-ethenylidene-4-methyl-6-oxo-4,5-dihydro-3H-benzofuran-3a-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS,4S)-7-(1,2-benzoxazol-3-yl)-2-ethenylidene-4-methyl-6-oxo-4,5-dihydro-3H-1-benzofuran-3a-carboxylate Traditional Name: (3aS,4S)-7-indoxazen-3-yl-6-keto-4-methyl-2-vinylidene-4,5-dihydro-3H-benzofuran-3a-carboxylic acid ethyl ester Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CC(=C=C)OC1=C(C(=O)CC2C)C3=NOC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)[C@]12CC(=C=C)OC1=C(C(=O)C[C@@H]2C)C3=NOC4=CC=CC=C43

InChI

InChI=1S/C21H19NO5/c1-4-13-11-21(20(24)25-5-2)12(3)10-15(23)17(19(21)26-13)18-14-8-6-7-9-16(14)27-22-18/h6-9,12H,1,5,10-11H2,2-3H3/t12-,21-/m0/s1