S-[1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl] ethanethioate

Systemtic Name: S-[1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl] ethanethioate Openeye Name: S-[1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[1-(4-methoxyphenyl)sulfonyl-3-pyrrolidinyl] ester IUPAC Name: S-[1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl] ester Formula: C13H17NO4S2 MolecularWeight: 315.40838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(=O)SC1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C13H17NO4S2/c1-10(15)19-12-7-8-14(9-12)20(16,17)13-5-3-11(18-2)4-6-13/h3-6,12H,7-9H2,1-2H3