(1-cyanoindolizin-2-yl)methyl 2-[(S)-ethylsulfinyl]benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-[(S)-ethylsulfinyl]benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-[(S)-ethylsulfinyl]benzoate CAS Name: 2-[(S)-ethylsulfinyl]benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-[(S)-ethylsulfinyl]benzoate Traditional Name: 2-[(S)-ethylsulfinyl]benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C19H16N2O3S MolecularWeight: 352.40694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=CC=CC=C1C(=O)OCC2=CN3C=CC=CC3=C2C#N

Isomeric SMILES

CC[S@](=O)C1=CC=CC=C1C(=O)OCC2=CN3C=CC=CC3=C2C#N

InChI

InChI=1S/C19H16N2O3S/c1-2-25(23)18-9-4-3-7-15(18)19(22)24-13-14-12-21-10-6-5-8-17(21)16(14)11-20/h3-10,12H,2,13H2,1H3/t25-/m0/s1