S-[1-(1-oxidanylidene-3,4-dihydro-2H-naphthalen-2-yl)pyrrolidin-3-yl] benzenecarbothioate

Systemtic Name: S-[1-(1-oxidanylidene-3,4-dihydro-2H-naphthalen-2-yl)pyrrolidin-3-yl] benzenecarbothioate Openeye Name: S-[1-(1-oxotetralin-2-yl)pyrrolidin-3-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-3-pyrrolidinyl] ester IUPAC Name: S-[1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyrrolidin-3-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[1-(1-ketotetralin-2-yl)pyrrolidin-3-yl] ester Formula: C21H21NO2S MolecularWeight: 351.46194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C(=O)C1N3CCC(C3)SC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC2=CC=CC=C2C(=O)C1N3CCC(C3)SC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21NO2S/c23-20-18-9-5-4-6-15(18)10-11-19(20)22-13-12-17(14-22)25-21(24)16-7-2-1-3-8-16/h1-9,17,19H,10-14H2