diethyl 2-[4-(4-chlorophenyl)sulfanylbutyl]propanedioate

Systemtic Name: diethyl 2-[4-(4-chlorophenyl)sulfanylbutyl]propanedioate Openeye Name: diethyl 2-[4-(4-chlorophenyl)sulfanylbutyl]propanedioate CAS Name: 2-[4-[(4-chlorophenyl)thio]butyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-(4-chlorophenyl)sulfanylbutyl]propanedioate Traditional Name: 2-[4-[(4-chlorophenyl)thio]butyl]malonic acid diethyl ester Formula: C17H23ClO4S MolecularWeight: 358.88012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCSC1=CC=C(C=C1)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCCCSC1=CC=C(C=C1)Cl)C(=O)OCC

InChI

InChI=1S/C17H23ClO4S/c1-3-21-16(19)15(17(20)22-4-2)7-5-6-12-23-14-10-8-13(18)9-11-14/h8-11,15H,3-7,12H2,1-2H3