methyl 2-ethyl-4-methyl-5-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-ethyl-4-methyl-5-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-ethyl-4-methyl-5-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2-ethyl-4-methyl-5-[oxo-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazinyl]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-4-methyl-5-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 2-ethyl-4-methyl-5-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)CC3=NC(=NO3)C4=CC=CS4)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)CC3=NC(=NO3)C4=CC=CS4)C)C(=O)OC

InChI

InChI=1S/C21H25N5O4S/c1-4-14-17(21(28)29-3)13(2)18(22-14)20(27)26-9-7-25(8-10-26)12-16-23-19(24-30-16)15-6-5-11-31-15/h5-6,11,22H,4,7-10,12H2,1-3H3