ethyl 5-azanyl-4-cyano-3-(2-phenylethanoyloxymethyl)thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-(2-phenylethanoyloxymethyl)thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(2-phenylacetyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(1-oxo-2-phenylethoxy)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(2-phenylacetyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(2-phenylacetyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H16N2O4S/c1-2-22-17(21)15-13(12(9-18)16(19)24-15)10-23-14(20)8-11-6-4-3-5-7-11/h3-7H,2,8,10,19H2,1H3