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

Systemtic Name: [5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate Openeye Name: [5-(2-methyl-2,3-dihydrobenzofuran-5-yl)isoxazol-3-yl]methyl 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)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-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [5-(2-methylcoumaran-5-yl)isoxazol-3-yl]methyl ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OCC2=NOC(=C2)C3=CC4=C(C=C3)OC(C4)C

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)OCC2=NOC(=C2)C3=CC4=C(C=C3)OC(C4)C

InChI

InChI=1S/C22H21NO4S/c1-3-28-21-7-5-4-6-18(21)22(24)25-13-17-12-20(27-23-17)15-8-9-19-16(11-15)10-14(2)26-19/h4-9,11-12,14H,3,10,13H2,1-2H3