N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CCOCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H19N3O6S/c1-2-27-10-9-22-14-11-13(23(25)26)7-8-18(14)30-20(22)21-19(24)17-12-28-15-5-3-4-6-16(15)29-17/h3-8,11,17H,2,9-10,12H2,1H3