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

Systemtic Name: (3S)-N-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-ethoxy-phenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[[4-(2-amino-2-oxo-ethoxy)-3-ethoxy-phenyl]methyleneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-[[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[[4-(2-amino-2-keto-ethoxy)-3-ethoxy-benzylidene]amino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6/c1-2-26-17-9-13(7-8-15(17)28-12-19(21)24)10-22-23-20(25)18-11-27-14-5-3-4-6-16(14)29-18/h3-10,18H,2,11-12H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1