1,3-benzothiazol-2-ylmethyl 4-(4-cyano-2-methoxy-phenoxy)butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(4-cyano-2-methoxy-phenoxy)butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(4-cyano-2-methoxy-phenoxy)butanoate CAS Name: 4-(4-cyano-2-methoxyphenoxy)butanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(4-cyano-2-methoxyphenoxy)butanoate Traditional Name: 4-(4-cyano-2-methoxy-phenoxy)butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCCCC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCCCC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H18N2O4S/c1-24-17-11-14(12-21)8-9-16(17)25-10-4-7-20(23)26-13-19-22-15-5-2-3-6-18(15)27-19/h2-3,5-6,8-9,11H,4,7,10,13H2,1H3