(2-bromanyl-4-cyano-6-ethoxy-phenyl) 1,3-benzothiazole-6-carboxylate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 1,3-benzothiazole-6-carboxylate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C17H11BrN2O3S MolecularWeight: 403.24984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C17H11BrN2O3S/c1-2-22-14-6-10(8-19)5-12(18)16(14)23-17(21)11-3-4-13-15(7-11)24-9-20-13/h3-7,9H,2H2,1H3