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

Systemtic Name: ethyl 4-cyano-5-[3-(4-ethoxyphenyl)prop-2-enoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-(4-ethoxyphenyl)prop-2-enoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-(4-ethoxyphenyl)prop-2-enoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(3-p-phenetylacryloyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S/c1-4-25-15-9-6-14(7-10-15)8-11-17(23)22-19-16(12-21)13(3)18(27-19)20(24)26-5-2/h6-11H,4-5H2,1-3H3,(H,22,23)