S-[2-methyl-3-(2-methyl-4-phenylsulfanyl-pyrrolidin-1-yl)-3-oxidanylidene-propyl] benzenecarbothioate

Systemtic Name: S-[2-methyl-3-(2-methyl-4-phenylsulfanyl-pyrrolidin-1-yl)-3-oxidanylidene-propyl] benzenecarbothioate Openeye Name: S-[2-methyl-3-(2-methyl-4-phenylsulfanyl-pyrrolidin-1-yl)-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-methyl-3-[2-methyl-4-(phenylthio)-1-pyrrolidinyl]-3-oxopropyl] ester IUPAC Name: S-[2-methyl-3-(2-methyl-4-phenylsulfanylpyrrolidin-1-yl)-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[3-keto-2-methyl-3-[2-methyl-4-(phenylthio)pyrrolidino]propyl] ester Formula: C22H25NO2S2 MolecularWeight: 399.5694

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN1C(=O)C(C)CSC(=O)C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC1CC(CN1C(=O)C(C)CSC(=O)C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C22H25NO2S2/c1-16(15-26-22(25)18-9-5-3-6-10-18)21(24)23-14-20(13-17(23)2)27-19-11-7-4-8-12-19/h3-12,16-17,20H,13-15H2,1-2H3