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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate CAS Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Traditional Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC2=C(S1)CCCCC2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC2=C(S1)CCCCC2

InChI

InChI=1S/C16H18N2O3S/c1-10(18)12(8-17)13(19)9-21-16(20)15-7-11-5-3-2-4-6-14(11)22-15/h7,12,18H,2-6,9H2,1H3