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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (5R)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (5R)-5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5R)-5-tert-butyl-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) (5R)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5R)-5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC2=C(S1)CCC(C2)C(C)(C)C

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC2=C(S1)CC[C@H](C2)C(C)(C)C

InChI

InChI=1S/C19H24N2O3S/c1-11(21)14(9-20)15(22)10-24-18(23)17-8-12-7-13(19(2,3)4)5-6-16(12)25-17/h8,13-14,21H,5-7,10H2,1-4H3/t13-,14?/m1/s1