ethyl 2-[[(E)-2-cyano-3-(2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[2,5-dimethyl-1-(3-pyridinyl)-3-pyrrolyl]-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(=CC2=C(N(C(=C2)C)C3=CN=CC=C3)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C(=C/C2=C(N(C(=C2)C)C3=CN=CC=C3)C)/C#N

InChI

InChI=1S/C24H24N4O3S/c1-6-31-24(30)21-15(3)17(5)32-23(21)27-22(29)19(12-25)11-18-10-14(2)28(16(18)4)20-8-7-9-26-13-20/h7-11,13H,6H2,1-5H3,(H,27,29)/b19-11+