dimethyl 2-[(E)-5-(4-bromophenyl)sulfanyl-5-oxidanylidene-pent-2-enyl]propanedioate

Systemtic Name: dimethyl 2-[(E)-5-(4-bromophenyl)sulfanyl-5-oxidanylidene-pent-2-enyl]propanedioate Openeye Name: dimethyl 2-[(E)-5-(4-bromophenyl)sulfanyl-5-oxo-pent-2-enyl]propanedioate CAS Name: 2-[(E)-5-[(4-bromophenyl)thio]-5-oxopent-2-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-5-(4-bromophenyl)sulfanyl-5-oxopent-2-enyl]propanedioate Traditional Name: 2-[(E)-5-[(4-bromophenyl)thio]-5-keto-pent-2-enyl]malonic acid dimethyl ester Formula: C16H17BrO5S MolecularWeight: 401.27218

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=CCC(=O)SC1=CC=C(C=C1)Br)C(=O)OC

Isomeric SMILES

COC(=O)C(C/C=C/CC(=O)SC1=CC=C(C=C1)Br)C(=O)OC

InChI

InChI=1S/C16H17BrO5S/c1-21-15(19)13(16(20)22-2)5-3-4-6-14(18)23-12-9-7-11(17)8-10-12/h3-4,7-10,13H,5-6H2,1-2H3/b4-3+