[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-methylthiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-methylthiophene-2-carboxylate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-methylthiophene-2-carboxylate CAS Name: 3-methyl-2-thiophenecarboxylic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-methylthiophene-2-carboxylate Traditional Name: 3-methylthiophene-2-carboxylic acid [2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl] ester Formula: C18H19NO5S2 MolecularWeight: 393.47716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(SC=C1)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H19NO5S2/c1-13-8-11-25-17(13)18(21)24-12-16(20)14-4-6-15(7-5-14)26(22,23)19-9-2-3-10-19/h4-8,11H,2-3,9-10,12H2,1H3