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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(3-methoxy-4-propan-2-yloxy-phenyl)carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-isopropoxy-3-methoxy-benzoyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(3-methoxy-4-propan-2-yloxyphenyl)-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(3-methoxy-4-propan-2-yloxybenzoyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(4-isopropoxy-3-methoxy-benzoyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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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)OC(C)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-5-26-20(24)17-14(13(9-21)18(22)29-17)10-27-19(23)12-6-7-15(28-11(2)3)16(8-12)25-4/h6-8,11H,5,10,22H2,1-4H3