(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-oxidanyl-benzoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-2-oxidanyl-benzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic 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 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C15H12N2O4S MolecularWeight: 316.33178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CSC=C3)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CSC=C3)O

InChI

InChI=1S/C15H12N2O4S/c1-9-2-3-11(12(18)6-9)15(19)20-7-13-16-14(17-21-13)10-4-5-22-8-10/h2-6,8,18H,7H2,1H3