S-(3-cyano-2-ethylsulfanyl-7-methyl-indolizin-1-yl) benzenecarbothioate

Systemtic Name: S-(3-cyano-2-ethylsulfanyl-7-methyl-indolizin-1-yl) benzenecarbothioate Openeye Name: S-(3-cyano-2-ethylsulfanyl-7-methyl-indolizin-1-yl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-cyano-2-(ethylthio)-7-methyl-1-indolizinyl] ester IUPAC Name: S-(3-cyano-2-ethylsulfanyl-7-methylindolizin-1-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-[3-cyano-2-(ethylthio)-7-methyl-indolizin-1-yl] ester Formula: C19H16N2OS2 MolecularWeight: 352.47314

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(N2C=CC(=CC2=C1SC(=O)C3=CC=CC=C3)C)C#N

Isomeric SMILES

CCSC1=C(N2C=CC(=CC2=C1SC(=O)C3=CC=CC=C3)C)C#N

InChI

InChI=1S/C19H16N2OS2/c1-3-23-17-16(12-20)21-10-9-13(2)11-15(21)18(17)24-19(22)14-7-5-4-6-8-14/h4-11H,3H2,1-2H3