(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-pyrrol-1-ylbenzoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-pyrrol-1-ylbenzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)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-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

C1=CN(C=C1)C2=CC=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C18H13N3O3S/c22-18(13-3-5-15(6-4-13)21-8-1-2-9-21)23-11-16-19-17(20-24-16)14-7-10-25-12-14/h1-10,12H,11H2