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

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(2-propoxyphenyl)prop-2-enyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(2-propoxyphenyl)acryloyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H23N3O6S MolecularWeight: 505.54232

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=C(C#N)C(=O)NC2=C(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCOC1=CC=CC=C1/C=C(\C#N)/C(=O)NC2=C(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C26H23N3O6S/c1-3-12-35-22-11-6-5-8-18(22)13-19(15-27)24(30)28-25-23(26(31)34-4-2)21(16-36-25)17-9-7-10-20(14-17)29(32)33/h5-11,13-14,16H,3-4,12H2,1-2H3,(H,28,30)/b19-13+