ethyl 2-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-butoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-butoxyphenyl)-2-cyano-acryloyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C27H25N3O6S MolecularWeight: 519.5689

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C27H25N3O6S/c1-3-5-13-36-22-11-9-18(10-12-22)14-20(16-28)25(31)29-26-24(27(32)35-4-2)23(17-37-26)19-7-6-8-21(15-19)30(33)34/h6-12,14-15,17H,3-5,13H2,1-2H3,(H,29,31)/b20-14+