ethyl 4,5-dimethyl-2-[(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[(4-methyl-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[4-methyl-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[(4-methyl-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(4-methyl-3-pyrrolidinosulfonyl-benzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H26N2O5S2/c1-5-28-21(25)18-14(3)15(4)29-20(18)22-19(24)16-9-8-13(2)17(12-16)30(26,27)23-10-6-7-11-23/h8-9,12H,5-7,10-11H2,1-4H3,(H,22,24)