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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[(E)-3-(2-methoxyphenyl)-2-phenyl-prop-2-enoyl]oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[(E)-3-(2-methoxyphenyl)-2-phenyl-prop-2-enoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(E)-3-(2-methoxyphenyl)-1-oxo-2-phenylprop-2-enoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[(E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(E)-3-(2-methoxyphenyl)-2-phenyl-acryloyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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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=CC=C2OC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)/C(=C/C2=CC=CC=C2OC)/C3=CC=CC=C3

InChI

InChI=1S/C25H22N2O5S/c1-3-31-25(29)22-20(19(14-26)23(27)33-22)15-32-24(28)18(16-9-5-4-6-10-16)13-17-11-7-8-12-21(17)30-2/h4-13H,3,15,27H2,1-2H3/b18-13+