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

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: 3-[(4-tert-butylbenzoyl)amino]propionic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-21(2,3)16-6-4-14(5-7-16)19(27)23-10-8-18(26)28-13-17(25)24-20-15(12-22)9-11-29-20/h4-7,9,11H,8,10,13H2,1-3H3,(H,23,27)(H,24,25)