diethyl 2-[(E)-4-(phenylsulfonyl)but-3-en-2-yl]propanedioate

Systemtic Name: diethyl 2-[(E)-4-(phenylsulfonyl)but-3-en-2-yl]propanedioate Openeye Name: diethyl 2-[(E)-3-(benzenesulfonyl)-1-methyl-allyl]propanedioate CAS Name: 2-[(E)-4-(benzenesulfonyl)but-3-en-2-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(E)-4-(benzenesulfonyl)but-3-en-2-yl]propanedioate Traditional Name: 2-[(E)-3-besyl-1-methyl-allyl]malonic acid diethyl ester Formula: C17H22O6S MolecularWeight: 354.41798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C=CS(=O)(=O)C1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(C)/C=C/S(=O)(=O)C1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C17H22O6S/c1-4-22-16(18)15(17(19)23-5-2)13(3)11-12-24(20,21)14-9-7-6-8-10-14/h6-13,15H,4-5H2,1-3H3/b12-11+