(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic 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-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C16H13ClN2O3S2 MolecularWeight: 380.86902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCC(=O)OCC2=NC(=NO2)C3=CSC=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCC(=O)OCC2=NC(=NO2)C3=CSC=C3)Cl

InChI

InChI=1S/C16H13ClN2O3S2/c17-12-1-3-13(4-2-12)24-8-6-15(20)21-9-14-18-16(19-22-14)11-5-7-23-10-11/h1-5,7,10H,6,8-9H2