methyl 2-[[(E)-3-anthracen-9-yl-2-cyano-prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-3-anthracen-9-yl-2-cyano-prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(9-anthryl)-2-cyano-prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(9-anthracenyl)-2-cyano-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-anthracen-9-yl-2-cyanoprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(9-anthryl)-2-cyano-acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C26H20N2O3S MolecularWeight: 440.5136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C(=CC2=C3C=CC=CC3=CC4=CC=CC=C42)C#N)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)/C(=C/C2=C3C=CC=CC3=CC4=CC=CC=C42)/C#N)C

InChI

InChI=1S/C26H20N2O3S/c1-15-16(2)32-25(23(15)26(30)31-3)28-24(29)19(14-27)13-22-20-10-6-4-8-17(20)12-18-9-5-7-11-21(18)22/h4-13H,1-3H3,(H,28,29)/b19-13+