ethyl 5-azanyl-4-cyano-3-[[(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 3-[[(E)-3-(4-allyloxyphenyl)prop-2-enoyl]oxymethyl]-5-amino-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(E)-1-oxo-3-(4-prop-2-enoxyphenyl)prop-2-enoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 3-[[(E)-3-(4-allyloxyphenyl)acryloyl]oxymethyl]-5-amino-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C=CC2=CC=C(C=C2)OCC=C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)/C=C/C2=CC=C(C=C2)OCC=C

InChI

InChI=1S/C21H20N2O5S/c1-3-11-27-15-8-5-14(6-9-15)7-10-18(24)28-13-17-16(12-22)20(23)29-19(17)21(25)26-4-2/h3,5-10H,1,4,11,13,23H2,2H3/b10-7+