(1-cyanoindolizin-2-yl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid (1-cyanoindolizin-2-yl)methyl ester Formula: C18H14N2O3S MolecularWeight: 338.38036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN2C=C1)COC(=O)CCC(=O)C3=CC=CS3)C#N

Isomeric SMILES

C1=CC2=C(C(=CN2C=C1)COC(=O)CCC(=O)C3=CC=CS3)C#N

InChI

InChI=1S/C18H14N2O3S/c19-10-14-13(11-20-8-2-1-4-15(14)20)12-23-18(22)7-6-16(21)17-5-3-9-24-17/h1-5,8-9,11H,6-7,12H2