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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(E)-3-(2,5-dimethoxyphenyl)-1-oxoprop-2-enoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(E)-3-(2,5-dimethoxyphenyl)acryloyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6S/c1-4-27-20(24)18-15(14(10-21)19(22)29-18)11-28-17(23)8-5-12-9-13(25-2)6-7-16(12)26-3/h5-9H,4,11,22H2,1-3H3/b8-5+