ethyl 2-[[(E)-3-anthracen-9-yl-2-cyano-prop-2-enoyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-anthracen-9-yl-2-cyano-prop-2-enoyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(9-anthryl)-2-cyano-prop-2-enoyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(9-anthracenyl)-2-cyano-1-oxoprop-2-enyl]amino]-4-(4-fluorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-anthracen-9-yl-2-cyanoprop-2-enoyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(9-anthryl)-2-cyano-acryloyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C31H21FN2O3S MolecularWeight: 520.573443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C(=CC3=C4C=CC=CC4=CC5=CC=CC=C53)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)/C(=C/C3=C4C=CC=CC4=CC5=CC=CC=C53)/C#N

InChI

InChI=1S/C31H21FN2O3S/c1-2-37-31(36)28-27(19-11-13-23(32)14-12-19)18-38-30(28)34-29(35)22(17-33)16-26-24-9-5-3-7-20(24)15-21-8-4-6-10-25(21)26/h3-16,18H,2H2,1H3,(H,34,35)/b22-16+