S-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]-5-oxidanylidene-pyrrolidin-3-yl] ethanethioate

Systemtic Name: S-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]-5-oxidanylidene-pyrrolidin-3-yl] ethanethioate Openeye Name: S-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]-5-oxo-pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]-5-oxo-3-pyrrolidinyl] ester IUPAC Name: S-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]-5-oxopyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[5-keto-1-[4-(4-methoxyphenoxy)benzyl]pyrrolidin-3-yl] ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(=O)N(C1)CC2=CC=C(C=C2)OC3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)SC1CC(=O)N(C1)CC2=CC=C(C=C2)OC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H21NO4S/c1-14(22)26-19-11-20(23)21(13-19)12-15-3-5-17(6-4-15)25-18-9-7-16(24-2)8-10-18/h3-10,19H,11-13H2,1-2H3