[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-propan-2-ylsulfanylphenyl)ethanoate

Systemtic Name: [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-propan-2-ylsulfanylphenyl)ethanoate Openeye Name: [5-(benzofuran-2-yl)isoxazol-3-yl]methyl 2-(4-isopropylsulfanylphenyl)acetate CAS Name: 2-[4-(propan-2-ylthio)phenyl]acetic acid [5-(2-benzofuranyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-propan-2-ylsulfanylphenyl)acetate Traditional Name: 2-[4-(isopropylthio)phenyl]acetic acid [5-(benzofuran-2-yl)isoxazol-3-yl]methyl ester Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)CC(=O)OCC2=NOC(=C2)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)CC(=O)OCC2=NOC(=C2)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C23H21NO4S/c1-15(2)29-19-9-7-16(8-10-19)11-23(25)26-14-18-13-22(28-24-18)21-12-17-5-3-4-6-20(17)27-21/h3-10,12-13,15H,11,14H2,1-2H3