[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate

Systemtic Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate Openeye Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)isoxazol-3-yl]methyl 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [5-(2,3-dihydro-1,4-benzodioxin-6-yl)isoxazol-3-yl]methyl ester Formula: C21H19NO5S MolecularWeight: 397.44426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OCC2=NOC(=C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)OCC2=NOC(=C2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H19NO5S/c1-2-28-20-6-4-3-5-16(20)21(23)26-13-15-12-18(27-22-15)14-7-8-17-19(11-14)25-10-9-24-17/h3-8,11-12H,2,9-10,13H2,1H3