dimethyl 2-[(E)-4-naphthalen-2-ylsulfanylbut-2-enyl]propanedioate

Systemtic Name: dimethyl 2-[(E)-4-naphthalen-2-ylsulfanylbut-2-enyl]propanedioate Openeye Name: dimethyl 2-[(E)-4-(2-naphthylsulfanyl)but-2-enyl]propanedioate CAS Name: 2-[(E)-4-(2-naphthalenylthio)but-2-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-4-naphthalen-2-ylsulfanylbut-2-enyl]propanedioate Traditional Name: 2-[(E)-4-(2-naphthylthio)but-2-enyl]malonic acid dimethyl ester Formula: C19H20O4S MolecularWeight: 344.4247

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=CCSC1=CC2=CC=CC=C2C=C1)C(=O)OC

Isomeric SMILES

COC(=O)C(C/C=C/CSC1=CC2=CC=CC=C2C=C1)C(=O)OC

InChI

InChI=1S/C19H20O4S/c1-22-18(20)17(19(21)23-2)9-5-6-12-24-16-11-10-14-7-3-4-8-15(14)13-16/h3-8,10-11,13,17H,9,12H2,1-2H3/b6-5+