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

Systemtic Name: ethyl 4-(azepan-1-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)-3-thiophen-2-yl-benzoate Openeye Name: ethyl 4-(azepan-1-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)-3-(2-thienyl)benzoate CAS Name: 4-(1-azepanylmethyl)-2-(1,2,4-oxadiazol-3-yl)-3-thiophen-2-ylbenzoic acid ethyl ester IUPAC Name: ethyl 4-(azepan-1-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)-3-thiophen-2-ylbenzoate Traditional Name: 4-(azepan-1-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)-3-(2-thienyl)benzoic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C=C1)CN2CCCCCC2)C3=CC=CS3)C4=NOC=N4

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C=C1)CN2CCCCCC2)C3=CC=CS3)C4=NOC=N4

InChI

InChI=1S/C22H25N3O3S/c1-2-27-22(26)17-10-9-16(14-25-11-5-3-4-6-12-25)19(18-8-7-13-29-18)20(17)21-23-15-28-24-21/h7-10,13,15H,2-6,11-12,14H2,1H3