(5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=NC2=CC=CC=C2N1CC(=O)OCC3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

CSCC1=NC2=CC=CC=C2N1CC(=O)OCC3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O3S/c1-28-14-20-22-17-9-5-6-10-18(17)24(20)12-21(25)26-13-16-11-19(27-23-16)15-7-3-2-4-8-15/h2-11H,12-14H2,1H3