(1-cyanoindolizin-2-yl)methyl 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C19H15BrN2O2S MolecularWeight: 415.3036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC2=CN3C=CC=CC3=C2C#N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC2=CN3C=CC=CC3=C2C#N

InChI

InChI=1S/C19H15BrN2O2S/c1-13-8-15(20)5-6-18(13)25-12-19(23)24-11-14-10-22-7-3-2-4-17(22)16(14)9-21/h2-8,10H,11-12H2,1H3