tert-butyl 2-[4-[(6-cyano-1-benzothiophen-2-yl)carbonylamino]cyclohexyl]oxyethanoate

Systemtic Name: tert-butyl 2-[4-[(6-cyano-1-benzothiophen-2-yl)carbonylamino]cyclohexyl]oxyethanoate Openeye Name: tert-butyl 2-[4-[(6-cyanobenzothiophene-2-carbonyl)amino]cyclohexoxy]acetate CAS Name: 2-[4-[[(6-cyano-1-benzothiophen-2-yl)-oxomethyl]amino]cyclohexyl]oxyacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(6-cyano-1-benzothiophene-2-carbonyl)amino]cyclohexyl]oxyacetate Traditional Name: 2-[4-[(6-cyanobenzothiophene-2-carbonyl)amino]cyclohexoxy]acetic acid tert-butyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1CCC(CC1)NC(=O)C2=CC3=C(S2)C=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)COC1CCC(CC1)NC(=O)C2=CC3=C(S2)C=C(C=C3)C#N

InChI

InChI=1S/C22H26N2O4S/c1-22(2,3)28-20(25)13-27-17-8-6-16(7-9-17)24-21(26)19-11-15-5-4-14(12-23)10-18(15)29-19/h4-5,10-11,16-17H,6-9,13H2,1-3H3,(H,24,26)