[2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylcarbonylamino)ethanoate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylcarbonylamino)ethanoate Openeye Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 2-(thiophene-2-carbonylamino)acetate CAS Name: 2-[[oxo(thiophen-2-yl)methyl]amino]acetic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate Traditional Name: 2-(2-thenoylamino)acetic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C22H20N4O4S MolecularWeight: 436.4836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)CNC(=O)C2=CC=CS2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)CNC(=O)C2=CC=CS2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H20N4O4S/c1-14-15(2)26(16-7-4-3-5-8-16)21(17(14)11-23)25-19(27)13-30-20(28)12-24-22(29)18-9-6-10-31-18/h3-10H,12-13H2,1-2H3,(H,24,29)(H,25,27)