diethyl 2-[3-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-propyl]-2-prop-2-enyl-propanedioate

Systemtic Name: diethyl 2-[3-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-propyl]-2-prop-2-enyl-propanedioate Openeye Name: diethyl 2-allyl-2-[3-oxo-3-(p-tolylsulfonylamino)propyl]propanedioate CAS Name: 2-[3-[(4-methylphenyl)sulfonylamino]-3-oxopropyl]-2-prop-2-enylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-[(4-methylphenyl)sulfonylamino]-3-oxopropyl]-2-prop-2-enylpropanedioate Traditional Name: 2-allyl-2-[3-keto-3-(tosylamino)propyl]malonic acid diethyl ester Formula: C20H27NO7S MolecularWeight: 425.49588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C)(CC=C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C)(CC=C)C(=O)OCC

InChI

InChI=1S/C20H27NO7S/c1-5-13-20(18(23)27-6-2,19(24)28-7-3)14-12-17(22)21-29(25,26)16-10-8-15(4)9-11-16/h5,8-11H,1,6-7,12-14H2,2-4H3,(H,21,22)