[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate

Systemtic Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate Openeye Name: [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid [5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5S/c1-4-28-20-8-6-5-7-16(20)21(23)26-13-15-12-18(27-22-15)14-9-10-17(24-2)19(11-14)25-3/h5-12H,4,13H2,1-3H3