(1-cyanoindolizin-2-yl)methyl 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C19H16N2O3S MolecularWeight: 352.40694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC2=CN3C=CC=CC3=C2C#N

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC2=CN3C=CC=CC3=C2C#N

InChI

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