(3-fluoranyl-4-methoxy-phenyl)methyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C18H16FNO3S2 MolecularWeight: 377.452943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)CCSC2=NC3=CC=CC=C3S2)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)CCSC2=NC3=CC=CC=C3S2)F

InChI

InChI=1S/C18H16FNO3S2/c1-22-15-7-6-12(10-13(15)19)11-23-17(21)8-9-24-18-20-14-4-2-3-5-16(14)25-18/h2-7,10H,8-9,11H2,1H3