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

Systemtic Name: methyl 4-(azepan-1-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)-3-thiophen-2-yl-benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-26-21(25)16-9-8-15(13-24-10-4-2-3-5-11-24)18(17-7-6-12-28-17)19(16)20-22-14-27-23-20/h6-9,12,14H,2-5,10-11,13H2,1H3