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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-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=CSC2=C1CCCC2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CSC2=C1CCCC2

InChI

InChI=1S/C15H16N2O3S/c1-9(17)11(6-16)13(18)7-20-15(19)12-8-21-14-5-3-2-4-10(12)14/h8,11,17H,2-5,7H2,1H3