(1-cyanoindolizin-2-yl)methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-[(4-methylthiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4-methyl-2-thiazolyl)thio]methyl]benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4-methylthiazol-2-yl)thio]methyl]benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C22H17N3O2S2 MolecularWeight: 419.51928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C22H17N3O2S2/c1-15-13-28-22(24-15)29-14-16-6-2-3-7-18(16)21(26)27-12-17-11-25-9-5-4-8-20(25)19(17)10-23/h2-9,11,13H,12,14H2,1H3