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

Systemtic Name: S-[1-[[4-(4-acetamidophenoxy)phenyl]methyl]-5-oxidanylidene-pyrrolidin-3-yl] ethanethioate Openeye Name: S-[1-[[4-(4-acetamidophenoxy)phenyl]methyl]-5-oxo-pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[1-[[4-(4-acetamidophenoxy)phenyl]methyl]-5-oxo-3-pyrrolidinyl] ester IUPAC Name: S-[1-[[4-(4-acetamidophenoxy)phenyl]methyl]-5-oxopyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-[4-(4-acetamidophenoxy)benzyl]-5-keto-pyrrolidin-3-yl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)CN3CC(CC3=O)SC(=O)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)CN3CC(CC3=O)SC(=O)C

InChI

InChI=1S/C21H22N2O4S/c1-14(24)22-17-5-9-19(10-6-17)27-18-7-3-16(4-8-18)12-23-13-20(11-21(23)26)28-15(2)25/h3-10,20H,11-13H2,1-2H3,(H,22,24)