methyl 4-chloranyl-3-[(2-oxidanylidenethian-3-yl)methyl]benzoate

Systemtic Name: methyl 4-chloranyl-3-[(2-oxidanylidenethian-3-yl)methyl]benzoate Openeye Name: methyl 4-chloro-3-[(2-oxotetrahydrothiopyran-3-yl)methyl]benzoate CAS Name: 4-chloro-3-[(2-oxo-3-thianyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(2-oxothian-3-yl)methyl]benzoate Traditional Name: 4-chloro-3-[(2-ketotetrahydrothiopyran-3-yl)methyl]benzoic acid methyl ester Formula: C14H15ClO3S MolecularWeight: 298.7851

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)CC2CCCSC2=O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)CC2CCCSC2=O

InChI

InChI=1S/C14H15ClO3S/c1-18-13(16)9-4-5-12(15)11(7-9)8-10-3-2-6-19-14(10)17/h4-5,7,10H,2-3,6,8H2,1H3