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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(E)-1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(E)-3-(3,4,5-trimethoxyphenyl)acryloyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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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)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7S/c1-5-29-21(25)19-14(13(10-22)20(23)31-19)11-30-17(24)7-6-12-8-15(26-2)18(28-4)16(9-12)27-3/h6-9H,5,11,23H2,1-4H3/b7-6+