ethyl 5-azanyl-4-cyano-3-[3-(naphthalen-2-ylsulfonylamino)propanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[3-(naphthalen-2-ylsulfonylamino)propanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[3-(2-naphthylsulfonylamino)propanoyloxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[3-(2-naphthalenylsulfonylamino)-1-oxopropoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[3-(naphthalen-2-ylsulfonylamino)propanoyloxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[3-(2-naphthylsulfonylamino)propanoyloxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C22H21N3O6S2 MolecularWeight: 487.54864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H21N3O6S2/c1-2-30-22(27)20-18(17(12-23)21(24)32-20)13-31-19(26)9-10-25-33(28,29)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,25H,2,9-10,13,24H2,1H3