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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic 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-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C16H13ClN2O5S MolecularWeight: 380.80282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OCC2=NC(=NO2)C3=CSC=C3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OCC2=NC(=NO2)C3=CSC=C3)Cl)OC

InChI

InChI=1S/C16H13ClN2O5S/c1-21-12-6-10(5-11(17)14(12)22-2)16(20)23-7-13-18-15(19-24-13)9-3-4-25-8-9/h3-6,8H,7H2,1-2H3