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

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-[5-(1-piperidyl)-2-furyl]prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-[5-(1-piperidinyl)-2-furanyl]prop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(5-piperidino-2-furyl)acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(=CC2=CC=C(O2)N3CCCCC3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C(=C/C2=CC=C(O2)N3CCCCC3)/C#N

InChI

InChI=1S/C22H25N3O4S/c1-4-28-22(27)19-14(2)15(3)30-21(19)24-20(26)16(13-23)12-17-8-9-18(29-17)25-10-6-5-7-11-25/h8-9,12H,4-7,10-11H2,1-3H3,(H,24,26)/b16-12+