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

Systemtic Name: [5-(5-ethyl-4-methyl-thiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-pyrrol-1-ylbenzoate Openeye Name: [5-(5-ethyl-4-methyl-2-thienyl)-1,3,4-oxadiazol-2-yl]methyl 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic acid [5-(5-ethyl-4-methyl-2-thiophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid [5-(5-ethyl-4-methyl-2-thienyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C2=NN=C(O2)COC(=O)C3=CC(=CC=C3)N4C=CC=C4)C

Isomeric SMILES

CCC1=C(C=C(S1)C2=NN=C(O2)COC(=O)C3=CC(=CC=C3)N4C=CC=C4)C

InChI

InChI=1S/C21H19N3O3S/c1-3-17-14(2)11-18(28-17)20-23-22-19(27-20)13-26-21(25)15-7-6-8-16(12-15)24-9-4-5-10-24/h4-12H,3,13H2,1-2H3