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

Systemtic Name: ethyl 4-cyano-5-[[2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-cyano-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[(2-cyano-3-p-phenetyl-acryloyl)amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4S/c1-4-27-16-8-6-14(7-9-16)10-15(11-22)19(25)24-20-17(12-23)13(3)18(29-20)21(26)28-5-2/h6-10H,4-5H2,1-3H3,(H,24,25)