[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-propyl-2-thiophenecarboxylic acid [2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid [2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl] ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C21H26N2O5S2/c1-3-7-16-12-19(29-15(16)2)21(25)28-14-20(24)22-17-8-6-9-18(13-17)30(26,27)23-10-4-5-11-23/h6,8-9,12-13H,3-5,7,10-11,14H2,1-2H3,(H,22,24)