methyl 2-(2-phenylsulfanyl-5-propanoyl-phenyl)ethanoate

Systemtic Name: methyl 2-(2-phenylsulfanyl-5-propanoyl-phenyl)ethanoate Openeye Name: methyl 2-(2-phenylsulfanyl-5-propanoyl-phenyl)acetate CAS Name: 2-[5-(1-oxopropyl)-2-(phenylthio)phenyl]acetic acid methyl ester IUPAC Name: methyl 2-(2-phenylsulfanyl-5-propanoylphenyl)acetate Traditional Name: 2-[2-(phenylthio)-5-propionyl-phenyl]acetic acid methyl ester Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)CC(=O)OC

Isomeric SMILES

CCC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)CC(=O)OC

InChI

InChI=1S/C18H18O3S/c1-3-16(19)13-9-10-17(14(11-13)12-18(20)21-2)22-15-7-5-4-6-8-15/h4-11H,3,12H2,1-2H3