[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 5-bromanylthiophene-2-carboxylate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 5-bromanylthiophene-2-carboxylate Openeye Name: [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl 5-bromothiophene-2-carboxylate CAS Name: 5-bromo-2-thiophenecarboxylic acid [2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 5-bromothiophene-2-carboxylate Traditional Name: 5-bromothiophene-2-carboxylic acid [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C17H14BrNO4S2 MolecularWeight: 440.33136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=C(S3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=C(S3)Br)OC

InChI

InChI=1S/C17H14BrNO4S2/c1-21-12-4-3-10(7-13(12)22-2)16-19-11(9-24-16)8-23-17(20)14-5-6-15(18)25-14/h3-7,9H,8H2,1-2H3