S-[1-(1-oxidanylidene-1-phenyl-propan-2-yl)pyrrolidin-3-yl] benzenecarbothioate

Systemtic Name: S-[1-(1-oxidanylidene-1-phenyl-propan-2-yl)pyrrolidin-3-yl] benzenecarbothioate Openeye Name: S-[1-(1-methyl-2-oxo-2-phenyl-ethyl)pyrrolidin-3-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[1-(1-oxo-1-phenylpropan-2-yl)-3-pyrrolidinyl] ester IUPAC Name: S-[1-(1-oxo-1-phenylpropan-2-yl)pyrrolidin-3-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[1-(2-keto-1-methyl-2-phenyl-ethyl)pyrrolidin-3-yl] ester Formula: C20H21NO2S MolecularWeight: 339.45124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)N2CCC(C2)SC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)N2CCC(C2)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO2S/c1-15(19(22)16-8-4-2-5-9-16)21-13-12-18(14-21)24-20(23)17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3