methyl 3-[4-(1,3-benzothiazol-6-ylmethoxy)phenyl]propanoate

Systemtic Name: methyl 3-[4-(1,3-benzothiazol-6-ylmethoxy)phenyl]propanoate Openeye Name: methyl 3-[4-(1,3-benzothiazol-6-ylmethoxy)phenyl]propanoate CAS Name: 3-[4-(1,3-benzothiazol-6-ylmethoxy)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(1,3-benzothiazol-6-ylmethoxy)phenyl]propanoate Traditional Name: 3-[4-(1,3-benzothiazol-6-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=CC3=C(C=C2)N=CS3

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)OCC2=CC3=C(C=C2)N=CS3

InChI

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