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

Systemtic Name: ethyl 5-azanyl-3-[[2,4-bis(oxidanyl)phenyl]carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(2,4-dihydroxybenzoyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(2,4-dihydroxyphenyl)-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(2,4-dihydroxybenzoyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(2,4-dihydroxybenzoyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C16H14N2O6S MolecularWeight: 362.35716

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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)O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O6S/c1-2-23-16(22)13-11(10(6-17)14(18)25-13)7-24-15(21)9-4-3-8(19)5-12(9)20/h3-5,19-20H,2,7,18H2,1H3