ethyl 2-[[(E)-2-cyano-3-(2,5-dimethyl-1-phenyl-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-phenyl-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-phenyl-pyrrol-3-yl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(2,5-dimethyl-1-phenyl-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-phenylpyrrol-3-yl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H25N3O3S MolecularWeight: 447.5493

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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=CC=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=CC=CC=C3)C)/C#N

InChI

InChI=1S/C25H25N3O3S/c1-6-31-25(30)22-16(3)18(5)32-24(22)27-23(29)20(14-26)13-19-12-15(2)28(17(19)4)21-10-8-7-9-11-21/h7-13H,6H2,1-5H3,(H,27,29)/b20-13+