ethyl 3-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-3-oxo-propanoate CAS Name: 3-[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-3-oxopropanoate Traditional Name: 3-keto-3-[2-(2-mesylbenzoyl)pyrazolidin-1-yl]propionic acid ethyl ester Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)N1CCCN1C(=O)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CC(=O)N1CCCN1C(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C16H20N2O6S/c1-3-24-15(20)11-14(19)17-9-6-10-18(17)16(21)12-7-4-5-8-13(12)25(2,22)23/h4-5,7-8H,3,6,9-11H2,1-2H3