methyl 2-[[2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-cyano-3-[4-(diethylamino)phenyl]acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=C(S2)C)C)C(=O)OC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=C(S2)C)C)C(=O)OC

InChI

InChI=1S/C22H25N3O3S/c1-6-25(7-2)18-10-8-16(9-11-18)12-17(13-23)20(26)24-21-19(22(27)28-5)14(3)15(4)29-21/h8-12H,6-7H2,1-5H3,(H,24,26)