(1-cyanoindolizin-2-yl)methyl 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-(4-bromophenyl)sulfanylethanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C18H13BrN2O2S MolecularWeight: 401.27702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN2C=C1)COC(=O)CSC3=CC=C(C=C3)Br)C#N

Isomeric SMILES

C1=CC2=C(C(=CN2C=C1)COC(=O)CSC3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C18H13BrN2O2S/c19-14-4-6-15(7-5-14)24-12-18(22)23-11-13-10-21-8-2-1-3-17(21)16(13)9-20/h1-8,10H,11-12H2