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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(E)-3-p-phenetylacryloyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC

InChI

InChI=1S/C20H20N2O5S/c1-3-25-14-8-5-13(6-9-14)7-10-17(23)27-12-16-15(11-21)19(22)28-18(16)20(24)26-4-2/h5-10H,3-4,12,22H2,1-2H3/b10-7+