S-[7-methyl-3-(phenylcarbonyl)-2-(phenylmethylsulfanyl)indolizin-1-yl] benzenecarbothioate

Systemtic Name: S-[7-methyl-3-(phenylcarbonyl)-2-(phenylmethylsulfanyl)indolizin-1-yl] benzenecarbothioate Openeye Name: S-(3-benzoyl-2-benzylsulfanyl-7-methyl-indolizin-1-yl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-benzoyl-7-methyl-2-(phenylmethylthio)-1-indolizinyl] ester IUPAC Name: S-(3-benzoyl-2-benzylsulfanyl-7-methylindolizin-1-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-[3-benzoyl-2-(benzylthio)-7-methyl-indolizin-1-yl] ester Formula: C30H23NO2S2 MolecularWeight: 493.63912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(N2C=C1)C(=O)C3=CC=CC=C3)SCC4=CC=CC=C4)SC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C(=C(N2C=C1)C(=O)C3=CC=CC=C3)SCC4=CC=CC=C4)SC(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H23NO2S2/c1-21-17-18-31-25(19-21)28(35-30(33)24-15-9-4-10-16-24)29(34-20-22-11-5-2-6-12-22)26(31)27(32)23-13-7-3-8-14-23/h2-19H,20H2,1H3