(1-cyanoindolizin-2-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C19H16N2O2S MolecularWeight: 336.40754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C19H16N2O2S/c20-10-15-14(11-21-8-4-3-6-16(15)21)12-23-19(22)18-9-13-5-1-2-7-17(13)24-18/h3-4,6,8-9,11H,1-2,5,7,12H2