[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1,3-benzothiazole-2-carboxylate

Systemtic Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1,3-benzothiazole-2-carboxylate Openeye Name: [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl 1,3-benzothiazole-2-carboxylate CAS Name: 1,3-benzothiazole-2-carboxylic acid [5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1,3-benzothiazole-2-carboxylate Traditional Name: 1,3-benzothiazole-2-carboxylic acid [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl ester Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NO2)COC(=O)C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NO2)COC(=O)C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C20H16N2O5S/c1-24-15-8-7-12(9-17(15)25-2)16-10-13(22-27-16)11-26-20(23)19-21-14-5-3-4-6-18(14)28-19/h3-10H,11H2,1-2H3