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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-(hydroxymethyl)phenyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-(hydroxymethyl)benzoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[4-(hydroxymethyl)phenyl]-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-(hydroxymethyl)benzoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(4-methylolbenzoyl)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)CO

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5S/c1-2-23-17(22)14-13(12(7-18)15(19)25-14)9-24-16(21)11-5-3-10(8-20)4-6-11/h3-6,20H,2,8-9,19H2,1H3