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

Systemtic Name: S-[7-methyl-2-(naphthalen-1-ylmethylsulfanyl)-3-(phenylcarbonyl)indolizin-1-yl] benzenecarbothioate Openeye Name: S-[3-benzoyl-7-methyl-2-(1-naphthylmethylsulfanyl)indolizin-1-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-benzoyl-7-methyl-2-(1-naphthalenylmethylthio)-1-indolizinyl] ester IUPAC Name: S-[3-benzoyl-7-methyl-2-(naphthalen-1-ylmethylsulfanyl)indolizin-1-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[3-benzoyl-7-methyl-2-(1-naphthylmethylthio)indolizin-1-yl] ester Formula: C34H25NO2S2 MolecularWeight: 543.6978

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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=CC5=CC=CC=C54)SC(=O)C6=CC=CC=C6

Isomeric SMILES

CC1=CC2=C(C(=C(N2C=C1)C(=O)C3=CC=CC=C3)SCC4=CC=CC5=CC=CC=C54)SC(=O)C6=CC=CC=C6

InChI

InChI=1S/C34H25NO2S2/c1-23-19-20-35-29(21-23)32(39-34(37)26-14-6-3-7-15-26)33(30(35)31(36)25-12-4-2-5-13-25)38-22-27-17-10-16-24-11-8-9-18-28(24)27/h2-21H,22H2,1H3