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

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H14N2O3S3 MolecularWeight: 390.49966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C17H14N2O3S3/c20-16(11-3-5-12(6-4-11)17-24-8-9-25-17)21-10-14-18-15(19-22-14)13-2-1-7-23-13/h1-7,17H,8-10H2