tert-butyl 2-[4-[(5-cyano-1-benzothiophen-2-yl)carbonylamino]phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[4-[(5-cyano-1-benzothiophen-2-yl)carbonylamino]phenoxy]ethanoate Openeye Name: tert-butyl 2-[4-[(5-cyanobenzothiophene-2-carbonyl)amino]phenoxy]acetate CAS Name: 2-[4-[[(5-cyano-1-benzothiophen-2-yl)-oxomethyl]amino]phenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(5-cyano-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate Traditional Name: 2-[4-[(5-cyanobenzothiophene-2-carbonyl)amino]phenoxy]acetic acid tert-butyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)C#N

InChI

InChI=1S/C22H20N2O4S/c1-22(2,3)28-20(25)13-27-17-7-5-16(6-8-17)24-21(26)19-11-15-10-14(12-23)4-9-18(15)29-19/h4-11H,13H2,1-3H3,(H,24,26)