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

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: 3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic 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] 3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: 3-methyl-2-(2-thenoylamino)butyric acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C25H26N4O4S MolecularWeight: 478.56334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O4S/c1-15(2)22(28-24(31)20-11-8-12-34-20)25(32)33-14-21(30)27-23-19(13-26)16(3)17(4)29(23)18-9-6-5-7-10-18/h5-12,15,22H,14H2,1-4H3,(H,27,30)(H,28,31)