(3S)-N-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-ethoxy-phenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-ethoxy-phenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[[4-(2-amino-2-oxo-ethoxy)-3-bromo-5-ethoxy-phenyl]methyleneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[[4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-[[4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[[4-(2-amino-2-keto-ethoxy)-3-bromo-5-ethoxy-benzylidene]amino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C20H20BrN3O6 MolecularWeight: 478.2933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NNC(=O)C2COC3=CC=CC=C3O2)Br)OCC(=O)N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=NNC(=O)[C@@H]2COC3=CC=CC=C3O2)Br)OCC(=O)N

InChI

InChI=1S/C20H20BrN3O6/c1-2-27-16-8-12(7-13(21)19(16)29-11-18(22)25)9-23-24-20(26)17-10-28-14-5-3-4-6-15(14)30-17/h3-9,17H,2,10-11H2,1H3,(H2,22,25)(H,24,26)/t17-/m0/s1