(1-cyanoindolizin-2-yl)methyl 1,3-benzothiazole-6-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 1,3-benzothiazole-6-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C18H11N3O2S MolecularWeight: 333.36384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN2C=C1)COC(=O)C3=CC4=C(C=C3)N=CS4)C#N

Isomeric SMILES

C1=CC2=C(C(=CN2C=C1)COC(=O)C3=CC4=C(C=C3)N=CS4)C#N

InChI

InChI=1S/C18H11N3O2S/c19-8-14-13(9-21-6-2-1-3-16(14)21)10-23-18(22)12-4-5-15-17(7-12)24-11-20-15/h1-7,9,11H,10H2