diethyl 2-[(E)-5-phenylsulfanylpent-2-enyl]propanedioate

Systemtic Name: diethyl 2-[(E)-5-phenylsulfanylpent-2-enyl]propanedioate Openeye Name: diethyl 2-[(E)-5-phenylsulfanylpent-2-enyl]propanedioate CAS Name: 2-[(E)-5-(phenylthio)pent-2-enyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(E)-5-phenylsulfanylpent-2-enyl]propanedioate Traditional Name: 2-[(E)-5-(phenylthio)pent-2-enyl]malonic acid diethyl ester Formula: C18H24O4S MolecularWeight: 336.44576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=CCCSC1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C/C=C/CCSC1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C18H24O4S/c1-3-21-17(19)16(18(20)22-4-2)13-9-6-10-14-23-15-11-7-5-8-12-15/h5-9,11-12,16H,3-4,10,13-14H2,1-2H3/b9-6+