methyl 3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]benzoate CAS Name: 3-[oxo-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]benzoate Traditional Name: 3-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]benzoic acid methyl ester Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C20H20N4O4S/c1-27-20(26)15-5-2-4-14(12-15)19(25)24-9-7-23(8-10-24)13-17-21-18(22-28-17)16-6-3-11-29-16/h2-6,11-12H,7-10,13H2,1H3