(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate CAS Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate Traditional Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC2=C(S1)CCCCCC2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC2=C(S1)CCCCCC2

InChI

InChI=1S/C17H20N2O3S/c1-11(19)13(9-18)14(20)10-22-17(21)16-8-12-6-4-2-3-5-7-15(12)23-16/h8,13,19H,2-7,10H2,1H3