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

Systemtic Name: S-[2-ethylsulfanyl-7-methyl-3-(phenylcarbonyl)indolizin-1-yl] benzenecarbothioate Openeye Name: S-(3-benzoyl-2-ethylsulfanyl-7-methyl-indolizin-1-yl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-benzoyl-2-(ethylthio)-7-methyl-1-indolizinyl] ester IUPAC Name: S-(3-benzoyl-2-ethylsulfanyl-7-methylindolizin-1-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-[3-benzoyl-2-(ethylthio)-7-methyl-indolizin-1-yl] ester Formula: C25H21NO2S2 MolecularWeight: 431.56974

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(N2C=CC(=CC2=C1SC(=O)C3=CC=CC=C3)C)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCSC1=C(N2C=CC(=CC2=C1SC(=O)C3=CC=CC=C3)C)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H21NO2S2/c1-3-29-24-21(22(27)18-10-6-4-7-11-18)26-15-14-17(2)16-20(26)23(24)30-25(28)19-12-8-5-9-13-19/h4-16H,3H2,1-2H3