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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[4-(1-piperidylsulfonyl)benzoyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(4-piperidinosulfonylbenzoyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S2/c1-3-29-21(26)18-14(2)17(13-22)20(30-18)23-19(25)15-7-9-16(10-8-15)31(27,28)24-11-5-4-6-12-24/h7-10H,3-6,11-12H2,1-2H3,(H,23,25)