[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-methylsulfanylbenzoate

Systemtic Name: [5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-methylsulfanylbenzoate Openeye Name: [5-(2-methyl-2,3-dihydrobenzofuran-5-yl)isoxazol-3-yl]methyl 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [5-(2-methyl-2,3-dihydrobenzofuran-5-yl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [5-(2-methylcoumaran-5-yl)isoxazol-3-yl]methyl ester Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C3=CC(=NO3)COC(=O)C4=CC=CC=C4SC

Isomeric SMILES

CC1CC2=C(O1)C=CC(=C2)C3=CC(=NO3)COC(=O)C4=CC=CC=C4SC

InChI

InChI=1S/C21H19NO4S/c1-13-9-15-10-14(7-8-18(15)25-13)19-11-16(22-26-19)12-24-21(23)17-5-3-4-6-20(17)27-2/h3-8,10-11,13H,9,12H2,1-2H3