ethyl 5-(azepan-1-ylmethyl)-4-nitro-2-(1,2,4-oxadiazol-3-yl)-3-thiophen-2-yl-benzoate

Systemtic Name: ethyl 5-(azepan-1-ylmethyl)-4-nitro-2-(1,2,4-oxadiazol-3-yl)-3-thiophen-2-yl-benzoate Openeye Name: ethyl 5-(azepan-1-ylmethyl)-4-nitro-2-(1,2,4-oxadiazol-3-yl)-3-(2-thienyl)benzoate CAS Name: 5-(1-azepanylmethyl)-4-nitro-2-(1,2,4-oxadiazol-3-yl)-3-thiophen-2-ylbenzoic acid ethyl ester IUPAC Name: ethyl 5-(azepan-1-ylmethyl)-4-nitro-2-(1,2,4-oxadiazol-3-yl)-3-thiophen-2-ylbenzoate Traditional Name: 5-(azepan-1-ylmethyl)-4-nitro-2-(1,2,4-oxadiazol-3-yl)-3-(2-thienyl)benzoic acid ethyl ester Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1C2=NOC=N2)C3=CC=CS3)[N+](=O)[O-])CN4CCCCCC4

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1C2=NOC=N2)C3=CC=CS3)[N+](=O)[O-])CN4CCCCCC4

InChI

InChI=1S/C22H24N4O5S/c1-2-30-22(27)16-12-15(13-25-9-5-3-4-6-10-25)20(26(28)29)19(17-8-7-11-32-17)18(16)21-23-14-31-24-21/h7-8,11-12,14H,2-6,9-10,13H2,1H3