[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid [2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid [2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl] ester Formula: C21H24N2O6S2 MolecularWeight: 464.55506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H24N2O6S2/c1-15-7-9-19(30-15)18(24)8-10-21(26)29-14-20(25)22-16-5-4-6-17(13-16)31(27,28)23-11-2-3-12-23/h4-7,9,13H,2-3,8,10-12,14H2,1H3,(H,22,25)