ethyl 4,5-dimethyl-2-[2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(3-pyrrolidin-1-ylsulfonylanilino)acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(3-pyrrolidin-1-ylsulfonylanilino)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-(3-pyrrolidinosulfonylanilino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H27N3O5S2/c1-4-29-21(26)19-14(2)15(3)30-20(19)23-18(25)13-22-16-8-7-9-17(12-16)31(27,28)24-10-5-6-11-24/h7-9,12,22H,4-6,10-11,13H2,1-3H3,(H,23,25)