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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-methyl-3-oxidanyl-phenyl)carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(3-hydroxy-4-methyl-benzoyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(3-hydroxy-4-methylphenyl)-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(3-hydroxy-4-methylbenzoyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(3-hydroxy-4-methyl-benzoyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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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)C)O

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5S/c1-3-23-17(22)14-12(11(7-18)15(19)25-14)8-24-16(21)10-5-4-9(2)13(20)6-10/h4-6,20H,3,8,19H2,1-2H3