(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(2-thienyl)thiazole-4-carboxylate CAS Name: 2-thiophen-2-yl-4-thiazolecarboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate Traditional Name: 2-(2-thienyl)thiazole-4-carboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C17H12BrNO4S2 MolecularWeight: 438.31548

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)C3=CSC(=N3)C4=CC=CS4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)C3=CSC(=N3)C4=CC=CS4

InChI

InChI=1S/C17H12BrNO4S2/c18-11-7-14-13(21-3-4-22-14)6-10(11)8-23-17(20)12-9-25-16(19-12)15-2-1-5-24-15/h1-2,5-7,9H,3-4,8H2