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

Systemtic Name: methyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-3H-1,3-benzothiazole-2-carboxylate Openeye Name: methyl 2-(3-cyano-4-isobutoxy-phenyl)-3H-1,3-benzothiazole-2-carboxylate CAS Name: 2-[3-cyano-4-(2-methylpropoxy)phenyl]-3H-1,3-benzothiazole-2-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-3H-1,3-benzothiazole-2-carboxylate Traditional Name: 2-(3-cyano-4-isobutoxy-phenyl)-3H-1,3-benzothiazole-2-carboxylic acid methyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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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/C20H20N2O3S/c1-13(2)12-25-17-9-8-15(10-14(17)11-21)20(19(23)24-3)22-16-6-4-5-7-18(16)26-20/h4-10,13,22H,12H2,1-3H3