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

Systemtic Name: ethyl 2-(azepan-1-ylmethyl)-1-(1,2,4-oxadiazol-3-yl)-2-thiophen-2-yl-cyclohexane-1-carboxylate Openeye Name: ethyl 2-(azepan-1-ylmethyl)-1-(1,2,4-oxadiazol-3-yl)-2-(2-thienyl)cyclohexanecarboxylate CAS Name: 2-(1-azepanylmethyl)-1-(1,2,4-oxadiazol-3-yl)-2-thiophen-2-yl-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(azepan-1-ylmethyl)-1-(1,2,4-oxadiazol-3-yl)-2-thiophen-2-ylcyclohexane-1-carboxylate Traditional Name: 2-(azepan-1-ylmethyl)-1-(1,2,4-oxadiazol-3-yl)-2-(2-thienyl)cyclohexanecarboxylic acid ethyl ester Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCCC1(CN2CCCCCC2)C3=CC=CS3)C4=NOC=N4

Isomeric SMILES

CCOC(=O)C1(CCCCC1(CN2CCCCCC2)C3=CC=CS3)C4=NOC=N4

InChI

InChI=1S/C22H31N3O3S/c1-2-27-20(26)22(19-23-17-28-24-19)12-6-5-11-21(22,18-10-9-15-29-18)16-25-13-7-3-4-8-14-25/h9-10,15,17H,2-8,11-14,16H2,1H3