ethyl 5-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenyl-1,3-thiazole-2-carboxylate

Systemtic Name: ethyl 5-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenyl-1,3-thiazole-2-carboxylate Openeye Name: ethyl 5-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenyl-thiazole-2-carboxylate CAS Name: 5-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenyl-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenyl-1,3-thiazole-2-carboxylate Traditional Name: 5-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenyl-thiazole-2-carboxylic acid ethyl ester Formula: C20H16BrNO4S MolecularWeight: 446.31434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=C(S1)C2=CC3=C(C=C2Br)OCCO3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NC(=C(S1)C2=CC3=C(C=C2Br)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C20H16BrNO4S/c1-2-24-20(23)19-22-17(12-6-4-3-5-7-12)18(27-19)13-10-15-16(11-14(13)21)26-9-8-25-15/h3-7,10-11H,2,8-9H2,1H3