(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) thieno[3,2-b][1]benzothiole-2-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) thieno[3,2-b][1]benzothiole-2-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) thieno[3,2-b]benzothiophene-2-carboxylate CAS Name: 2-thieno[3,2-b][1]benzothiolecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) thieno[3,2-b][1]benzothiole-2-carboxylate Traditional Name: thieno[3,2-b]benzothiophene-2-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C17H12N2O3S2 MolecularWeight: 356.41878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC2=C(S1)C3=CC=CC=C3S2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC2=C(S1)C3=CC=CC=C3S2

InChI

InChI=1S/C17H12N2O3S2/c1-9(19)11(7-18)12(20)8-22-17(21)15-6-14-16(24-15)10-4-2-3-5-13(10)23-14/h2-6,11,19H,8H2,1H3