dimethyl 2-[(E)-5-naphthalen-2-ylsulfanyl-5-oxidanylidene-pent-2-enyl]propanedioate

Systemtic Name: dimethyl 2-[(E)-5-naphthalen-2-ylsulfanyl-5-oxidanylidene-pent-2-enyl]propanedioate Openeye Name: dimethyl 2-[(E)-5-(2-naphthylsulfanyl)-5-oxo-pent-2-enyl]propanedioate CAS Name: 2-[(E)-5-(2-naphthalenylthio)-5-oxopent-2-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-5-naphthalen-2-ylsulfanyl-5-oxopent-2-enyl]propanedioate Traditional Name: 2-[(E)-5-keto-5-(2-naphthylthio)pent-2-enyl]malonic acid dimethyl ester Formula: C20H20O5S MolecularWeight: 372.4348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=CCC(=O)SC1=CC2=CC=CC=C2C=C1)C(=O)OC

Isomeric SMILES

COC(=O)C(C/C=C/CC(=O)SC1=CC2=CC=CC=C2C=C1)C(=O)OC

InChI

InChI=1S/C20H20O5S/c1-24-19(22)17(20(23)25-2)9-5-6-10-18(21)26-16-12-11-14-7-3-4-8-15(14)13-16/h3-8,11-13,17H,9-10H2,1-2H3/b6-5+