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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(2-piperidin-1-ylsulfonylphenyl)carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(1-piperidylsulfonyl)benzoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[oxo-[2-(1-piperidinylsulfonyl)phenyl]methoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(2-piperidin-1-ylsulfonylbenzoyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(2-piperidinosulfonylbenzoyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H23N3O6S2 MolecularWeight: 477.55382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23N3O6S2/c1-2-29-21(26)18-16(15(12-22)19(23)31-18)13-30-20(25)14-8-4-5-9-17(14)32(27,28)24-10-6-3-7-11-24/h4-5,8-9H,2-3,6-7,10-11,13,23H2,1H3