ethyl 1-[2-[2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoyloxy]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoyloxy]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[1-oxo-2-[(7-oxo-3-benzo[a]phenalenyl)thio]ethoxy]ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetyl]oxyacetyl]isonipecotic acid ethyl ester Formula: C29H27NO6S MolecularWeight: 517.59278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O

InChI

InChI=1S/C29H27NO6S/c1-2-35-29(34)18-12-14-30(15-13-18)25(31)16-36-26(32)17-37-24-11-10-20-19-6-3-4-7-21(19)28(33)23-9-5-8-22(24)27(20)23/h3-11,18H,2,12-17H2,1H3