methyl 3-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]propanoate

Systemtic Name: methyl 3-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]propanoate Openeye Name: methyl 3-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]propanoate CAS Name: 3-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]propanoate Traditional Name: 3-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]propionic acid methyl ester Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H17NO3S/c1-21-18(20)11-8-13-6-9-14(10-7-13)22-12-17-19-15-4-2-3-5-16(15)23-17/h2-7,9-10H,8,11-12H2,1H3