ethyl 4-cyano-3-methyl-5-[(4-methyl-3-pyrrol-1-yl-phenyl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[(4-methyl-3-pyrrol-1-yl-phenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[(4-methyl-3-pyrrol-1-yl-benzoyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[[4-methyl-3-(1-pyrrolyl)phenyl]-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(4-methyl-3-pyrrol-1-ylbenzoyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(4-methyl-3-pyrrol-1-yl-benzoyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=C(C=C2)C)N3C=CC=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=C(C=C2)C)N3C=CC=C3)C#N)C

InChI

InChI=1S/C21H19N3O3S/c1-4-27-21(26)18-14(3)16(12-22)20(28-18)23-19(25)15-8-7-13(2)17(11-15)24-9-5-6-10-24/h5-11H,4H2,1-3H3,(H,23,25)