(1-cyanoindolizin-2-yl)methyl 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4,5-dimethoxy-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4,5-dimethoxy-2-(2-thenoylamino)benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C24H19N3O5S MolecularWeight: 461.48976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N)NC(=O)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N)NC(=O)C4=CC=CS4)OC

InChI

InChI=1S/C24H19N3O5S/c1-30-20-10-16(18(11-21(20)31-2)26-23(28)22-7-5-9-33-22)24(29)32-14-15-13-27-8-4-3-6-19(27)17(15)12-25/h3-11,13H,14H2,1-2H3,(H,26,28)