(1-cyanoindolizin-2-yl)methyl 2-methylsulfanylbenzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-methylsulfanylbenzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C18H14N2O2S MolecularWeight: 322.38096

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)OCC2=CN3C=CC=CC3=C2C#N

Isomeric SMILES

CSC1=CC=CC=C1C(=O)OCC2=CN3C=CC=CC3=C2C#N

InChI

InChI=1S/C18H14N2O2S/c1-23-17-8-3-2-6-14(17)18(21)22-12-13-11-20-9-5-4-7-16(20)15(13)10-19/h2-9,11H,12H2,1H3