[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-tert-butylphenoxy)propanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-tert-butylphenoxy)propanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] (2R)-2-(4-tert-butylphenoxy)propanoate CAS Name: (2R)-2-(4-tert-butylphenoxy)propanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate Traditional Name: (2R)-2-(4-tert-butylphenoxy)propionic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=C(C=CS1)C#N)OC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC1=C(C=CS1)C#N)OC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H22N2O4S/c1-13(26-16-7-5-15(6-8-16)20(2,3)4)19(24)25-12-17(23)22-18-14(11-21)9-10-27-18/h5-10,13H,12H2,1-4H3,(H,22,23)/t13-/m1/s1