(1-cyanoindolizin-2-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C19H13N3O3S MolecularWeight: 363.38982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC(=O)OCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC(=O)OCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C19H13N3O3S/c20-9-14-13(10-22-8-4-3-6-16(14)22)11-24-18(23)12-26-19-21-15-5-1-2-7-17(15)25-19/h1-8,10H,11-12H2