ethyl 5-(1,3-dithiol-2-ylidene)-3-ethyl-4,6-bis(oxidanylidene)-1-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl 5-(1,3-dithiol-2-ylidene)-3-ethyl-4,6-bis(oxidanylidene)-1-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl 1-benzyl-5-(1,3-dithiol-2-ylidene)-3-ethyl-4,6-dioxo-piperidine-3-carboxylate CAS Name: 5-(1,3-dithiol-2-ylidene)-3-ethyl-4,6-dioxo-1-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-(1,3-dithiol-2-ylidene)-3-ethyl-4,6-dioxopiperidine-3-carboxylate Traditional Name: 1-benzyl-5-(1,3-dithiol-2-ylidene)-3-ethyl-4,6-diketo-nipecotic acid ethyl ester Formula: C20H21NO4S2 MolecularWeight: 403.51504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CN(C(=O)C(=C2SC=CS2)C1=O)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1(CN(C(=O)C(=C2SC=CS2)C1=O)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C20H21NO4S2/c1-3-20(19(24)25-4-2)13-21(12-14-8-6-5-7-9-14)17(23)15(16(20)22)18-26-10-11-27-18/h5-11H,3-4,12-13H2,1-2H3