ethyl 2-[[(4S,5R)-4-(4-bromanyl-7-methyl-6-prop-2-enoxy-1,3-benzodioxol-5-yl)-2,2-dimethyl-1,3-dioxan-5-yl]imino]ethanoate

Systemtic Name: ethyl 2-[[(4S,5R)-4-(4-bromanyl-7-methyl-6-prop-2-enoxy-1,3-benzodioxol-5-yl)-2,2-dimethyl-1,3-dioxan-5-yl]imino]ethanoate Openeye Name: ethyl 2-[[(4S,5R)-4-(6-allyloxy-4-bromo-7-methyl-1,3-benzodioxol-5-yl)-2,2-dimethyl-1,3-dioxan-5-yl]imino]acetate CAS Name: 2-[[(4S,5R)-4-(4-bromo-7-methyl-6-prop-2-enoxy-1,3-benzodioxol-5-yl)-2,2-dimethyl-1,3-dioxan-5-yl]imino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(4S,5R)-4-(4-bromo-7-methyl-6-prop-2-enoxy-1,3-benzodioxol-5-yl)-2,2-dimethyl-1,3-dioxan-5-yl]imino]acetate Traditional Name: 2-[[(4S,5R)-4-(6-allyloxy-4-bromo-7-methyl-1,3-benzodioxol-5-yl)-2,2-dimethyl-1,3-dioxan-5-yl]imino]acetic acid ethyl ester Formula: C21H26BrNO7 MolecularWeight: 484.33764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=NC1COC(OC1C2=C(C(=C3C(=C2Br)OCO3)C)OCC=C)(C)C

Isomeric SMILES

CCOC(=O)C=N[C@@H]1COC(O[C@H]1C2=C(C(=C3C(=C2Br)OCO3)C)OCC=C)(C)C

InChI

InChI=1S/C21H26BrNO7/c1-6-8-26-17-12(3)18-20(28-11-27-18)16(22)15(17)19-13(10-29-21(4,5)30-19)23-9-14(24)25-7-2/h6,9,13,19H,1,7-8,10-11H2,2-5H3/t13-,19-/m1/s1