(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC2=C(S1)CCCC2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC2=C(S1)CCCC2

InChI

InChI=1S/C15H16N2O3S/c1-9(17)11(7-16)12(18)8-20-15(19)14-6-10-4-2-3-5-13(10)21-14/h6,11,17H,2-5,8H2,1H3