[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylsulfanylethanoate

Systemtic Name: [5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylsulfanylethanoate Openeye Name: [5-(2-methyl-2,3-dihydrobenzofuran-5-yl)isoxazol-3-yl]methyl 2-(4-pyridylsulfanyl)acetate CAS Name: 2-(pyridin-4-ylthio)acetic 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-pyridin-4-ylsulfanylacetate Traditional Name: 2-(4-pyridylthio)acetic acid [5-(2-methylcoumaran-5-yl)isoxazol-3-yl]methyl ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C3=CC(=NO3)COC(=O)CSC4=CC=NC=C4

Isomeric SMILES

CC1CC2=C(O1)C=CC(=C2)C3=CC(=NO3)COC(=O)CSC4=CC=NC=C4

InChI

InChI=1S/C20H18N2O4S/c1-13-8-15-9-14(2-3-18(15)25-13)19-10-16(22-26-19)11-24-20(23)12-27-17-4-6-21-7-5-17/h2-7,9-10,13H,8,11-12H2,1H3