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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(3,4-dimethoxyphenyl)carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(3,4-dimethoxybenzoyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(3,4-dimethoxyphenyl)-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(3,4-dimethoxybenzoyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-(veratroyloxymethyl)thiophene-2-carboxylic acid ethyl ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6S/c1-4-25-18(22)15-12(11(8-19)16(20)27-15)9-26-17(21)10-5-6-13(23-2)14(7-10)24-3/h5-7H,4,9,20H2,1-3H3