ethyl 5-[(4-ethoxycarbonylphenyl)methylsulfanylmethyl]thiolane-3-carboxylate

Systemtic Name: ethyl 5-[(4-ethoxycarbonylphenyl)methylsulfanylmethyl]thiolane-3-carboxylate Openeye Name: ethyl 5-[(4-ethoxycarbonylphenyl)methylsulfanylmethyl]tetrahydrothiophene-3-carboxylate CAS Name: 5-[[(4-ethoxycarbonylphenyl)methylthio]methyl]-3-thiolanecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-ethoxycarbonylphenyl)methylsulfanylmethyl]thiolane-3-carboxylate Traditional Name: 5-[[(4-carbethoxybenzyl)thio]methyl]tetrahydrothiophene-3-carboxylic acid ethyl ester Formula: C18H24O4S2 MolecularWeight: 368.51076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(SC1)CSCC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CC(SC1)CSCC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C18H24O4S2/c1-3-21-17(19)14-7-5-13(6-8-14)10-23-12-16-9-15(11-24-16)18(20)22-4-2/h5-8,15-16H,3-4,9-12H2,1-2H3