[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-tert-butylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-tert-butylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 4-(4-tert-butylphenyl)-4-oxo-butanoate CAS Name: 4-(4-tert-butylphenyl)-4-oxobutanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate Traditional Name: 4-(4-tert-butylphenyl)-4-keto-butyric acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C21H22N2O4S/c1-21(2,3)16-6-4-14(5-7-16)17(24)8-9-19(26)27-13-18(25)23-20-15(12-22)10-11-28-20/h4-7,10-11H,8-9,13H2,1-3H3,(H,23,25)