methyl 5-(1,3-dithiol-2-ylidene)-4,6-bis(oxidanylidene)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate

Systemtic Name: methyl 5-(1,3-dithiol-2-ylidene)-4,6-bis(oxidanylidene)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate Openeye Name: methyl 5-(1,3-dithiol-2-ylidene)-4,6-dioxo-1-(3-pyridylmethyl)piperidine-3-carboxylate CAS Name: 5-(1,3-dithiol-2-ylidene)-4,6-dioxo-1-(3-pyridinylmethyl)-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-dithiol-2-ylidene)-4,6-dioxo-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate Traditional Name: 5-(1,3-dithiol-2-ylidene)-4,6-diketo-1-(3-pyridylmethyl)nipecotic acid methyl ester Formula: C16H14N2O4S2 MolecularWeight: 362.42336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C(=O)C(=C2SC=CS2)C1=O)CC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1CN(C(=O)C(=C2SC=CS2)C1=O)CC3=CN=CC=C3

InChI

InChI=1S/C16H14N2O4S2/c1-22-15(21)11-9-18(8-10-3-2-4-17-7-10)14(20)12(13(11)19)16-23-5-6-24-16/h2-7,11H,8-9H2,1H3