(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-chloranyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-chloranyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 3-chloro-4-ethoxy-5-methoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-methoxybenzoic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-chloro-4-ethoxy-5-methoxybenzoate Traditional Name: 3-chloro-4-ethoxy-5-methoxy-benzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H15ClN2O5S MolecularWeight: 394.8294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)OCC2=NC(=NO2)C3=CSC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)OCC2=NC(=NO2)C3=CSC=C3)OC

InChI

InChI=1S/C17H15ClN2O5S/c1-3-23-15-12(18)6-11(7-13(15)22-2)17(21)24-8-14-19-16(20-25-14)10-4-5-26-9-10/h4-7,9H,3,8H2,1-2H3