ethyl 5-azanyl-4-cyano-3-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-methyl-3-(1-piperidylsulfonyl)benzoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(4-methyl-3-piperidinosulfonyl-benzoyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C22H25N3O6S2 MolecularWeight: 491.5804

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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)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H25N3O6S2/c1-3-30-22(27)19-17(16(12-23)20(24)32-19)13-31-21(26)15-8-7-14(2)18(11-15)33(28,29)25-9-5-4-6-10-25/h7-8,11H,3-6,9-10,13,24H2,1-2H3