ethyl 2-[[(E)-2-cyano-3-phenyl-prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-phenyl-prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-phenyl-prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-phenylprop-2-enyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-phenylprop-2-enoyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-phenyl-acryloyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H18N2O3S MolecularWeight: 402.46562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(=CC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)/C(=C/C3=CC=CC=C3)/C#N

InChI

InChI=1S/C23H18N2O3S/c1-2-28-23(27)19-14-20(17-11-7-4-8-12-17)29-22(19)25-21(26)18(15-24)13-16-9-5-3-6-10-16/h3-14H,2H2,1H3,(H,25,26)/b18-13+