(4-ethoxycarbonylphenyl)methyl 5-(ethanoylsulfanylmethyl)thiolane-3-carboxylate

Systemtic Name: (4-ethoxycarbonylphenyl)methyl 5-(ethanoylsulfanylmethyl)thiolane-3-carboxylate Openeye Name: (4-ethoxycarbonylphenyl)methyl 5-(acetylsulfanylmethyl)tetrahydrothiophene-3-carboxylate CAS Name: 5-[(acetylthio)methyl]-3-thiolanecarboxylic acid (4-ethoxycarbonylphenyl)methyl ester IUPAC Name: (4-ethoxycarbonylphenyl)methyl 5-(acetylsulfanylmethyl)thiolane-3-carboxylate Traditional Name: 5-[(acetylthio)methyl]tetrahydrothiophene-3-carboxylic acid (4-carbethoxybenzyl) ester Formula: C18H22O5S2 MolecularWeight: 382.49428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)COC(=O)C2CC(SC2)CSC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)COC(=O)C2CC(SC2)CSC(=O)C

InChI

InChI=1S/C18H22O5S2/c1-3-22-17(20)14-6-4-13(5-7-14)9-23-18(21)15-8-16(25-10-15)11-24-12(2)19/h4-7,15-16H,3,8-11H2,1-2H3