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

Systemtic Name: S-[1-[[4-(4-methylphenoxy)phenyl]methyl]-5-oxidanylidene-pyrrolidin-3-yl] ethanethioate Openeye Name: S-[1-[[4-(4-methylphenoxy)phenyl]methyl]-5-oxo-pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[1-[[4-(4-methylphenoxy)phenyl]methyl]-5-oxo-3-pyrrolidinyl] ester IUPAC Name: S-[1-[[4-(4-methylphenoxy)phenyl]methyl]-5-oxopyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[5-keto-1-[4-(4-methylphenoxy)benzyl]pyrrolidin-3-yl] ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=C(C=C2)CN3CC(CC3=O)SC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)CN3CC(CC3=O)SC(=O)C

InChI

InChI=1S/C20H21NO3S/c1-14-3-7-17(8-4-14)24-18-9-5-16(6-10-18)12-21-13-19(11-20(21)23)25-15(2)22/h3-10,19H,11-13H2,1-2H3