S-[3-(phenylcarbonyl)-2-(phenylmethylsulfanyl)indolizin-1-yl] benzenecarbothioate

Systemtic Name: S-[3-(phenylcarbonyl)-2-(phenylmethylsulfanyl)indolizin-1-yl] benzenecarbothioate Openeye Name: S-(3-benzoyl-2-benzylsulfanyl-indolizin-1-yl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-benzoyl-2-(phenylmethylthio)-1-indolizinyl] ester IUPAC Name: S-(3-benzoyl-2-benzylsulfanylindolizin-1-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-[3-benzoyl-2-(benzylthio)indolizin-1-yl] ester Formula: C29H21NO2S2 MolecularWeight: 479.61254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(N3C=CC=CC3=C2SC(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(N3C=CC=CC3=C2SC(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H21NO2S2/c31-26(22-14-6-2-7-15-22)25-28(33-20-21-12-4-1-5-13-21)27(24-18-10-11-19-30(24)25)34-29(32)23-16-8-3-9-17-23/h1-19H,20H2