methyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-1,3-benzothiazole-7-carboxylate

Systemtic Name: methyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-1,3-benzothiazole-7-carboxylate Openeye Name: methyl 2-(3-cyano-4-isobutoxy-phenyl)-1,3-benzothiazole-7-carboxylate CAS Name: 2-[3-cyano-4-(2-methylpropoxy)phenyl]-1,3-benzothiazole-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-1,3-benzothiazole-7-carboxylate Traditional Name: 2-(3-cyano-4-isobutoxy-phenyl)-1,3-benzothiazole-7-carboxylic acid methyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C2=NC3=CC=CC(=C3S2)C(=O)OC)C#N

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C2=NC3=CC=CC(=C3S2)C(=O)OC)C#N

InChI

InChI=1S/C20H18N2O3S/c1-12(2)11-25-17-8-7-13(9-14(17)10-21)19-22-16-6-4-5-15(18(16)26-19)20(23)24-3/h4-9,12H,11H2,1-3H3