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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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