ethyl 5-azanyl-4-cyano-3-[(2,3,4-trimethoxyphenyl)carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(2,3,4-trimethoxyphenyl)carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(2,3,4-trimethoxybenzoyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[oxo-(2,3,4-trimethoxyphenyl)methoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(2,3,4-trimethoxybenzoyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(2,3,4-trimethoxybenzoyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O7S/c1-5-27-19(23)16-12(11(8-20)17(21)29-16)9-28-18(22)10-6-7-13(24-2)15(26-4)14(10)25-3/h6-7H,5,9,21H2,1-4H3