ethyl 5-azanyl-4-cyano-3-[(3-methoxy-4-prop-2-enoxy-phenyl)carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(3-methoxy-4-prop-2-enoxy-phenyl)carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 3-[(4-allyloxy-3-methoxy-benzoyl)oxymethyl]-5-amino-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(3-methoxy-4-prop-2-enoxyphenyl)-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(3-methoxy-4-prop-2-enoxybenzoyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 3-[(4-allyloxy-3-methoxy-benzoyl)oxymethyl]-5-amino-4-cyano-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)C2=CC(=C(C=C2)OCC=C)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6S/c1-4-8-27-15-7-6-12(9-16(15)25-3)19(23)28-11-14-13(10-21)18(22)29-17(14)20(24)26-5-2/h4,6-7,9H,1,5,8,11,22H2,2-3H3