ethyl 4-cyano-5-[[2-cyano-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[[2-cyano-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[2-cyano-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-cyano-3-(4-ethoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[2-cyano-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[2-cyano-3-(4-ethoxy-3-methoxy-phenyl)acryloyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N)OC

InChI

InChI=1S/C22H21N3O5S/c1-5-29-17-8-7-14(10-18(17)28-4)9-15(11-23)20(26)25-21-16(12-24)13(3)19(31-21)22(27)30-6-2/h7-10H,5-6H2,1-4H3,(H,25,26)