dimethyl 2-[(E)-4-phenylsulfanylbut-2-enyl]propanedioate

Systemtic Name: dimethyl 2-[(E)-4-phenylsulfanylbut-2-enyl]propanedioate Openeye Name: dimethyl 2-[(E)-4-phenylsulfanylbut-2-enyl]propanedioate CAS Name: 2-[(E)-4-(phenylthio)but-2-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-4-phenylsulfanylbut-2-enyl]propanedioate Traditional Name: 2-[(E)-4-(phenylthio)but-2-enyl]malonic acid dimethyl ester Formula: C15H18O4S MolecularWeight: 294.36602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=CCSC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

COC(=O)C(C/C=C/CSC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C15H18O4S/c1-18-14(16)13(15(17)19-2)10-6-7-11-20-12-8-4-3-5-9-12/h3-9,13H,10-11H2,1-2H3/b7-6+