(1-cyanoindolizin-2-yl)methyl 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-methoxyethylamino)-2-oxoethyl]thio]benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4S/c1-28-11-9-24-21(26)15-30-20-8-3-2-6-17(20)22(27)29-14-16-13-25-10-5-4-7-19(25)18(16)12-23/h2-8,10,13H,9,11,14-15H2,1H3,(H,24,26)