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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(4-pyrrolidinosulfonylbenzoyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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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)N3CCCC3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C#N)C

InChI

InChI=1S/C20H21N3O5S2/c1-3-28-20(25)17-13(2)16(12-21)19(29-17)22-18(24)14-6-8-15(9-7-14)30(26,27)23-10-4-5-11-23/h6-9H,3-5,10-11H2,1-2H3,(H,22,24)