ethyl 1-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]piperidine-4-carboxylate CAS Name: 1-[mercapto-(4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]piperidine-4-carboxylate Traditional Name: 1-[(4-ketocyclohexa-2,5-dien-1-ylidene)-mercapto-methyl]isonipecotic acid ethyl ester Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=C2C=CC(=O)C=C2)S

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=C2C=CC(=O)C=C2)S

InChI

InChI=1S/C15H19NO3S/c1-2-19-15(18)12-7-9-16(10-8-12)14(20)11-3-5-13(17)6-4-11/h3-6,12,20H,2,7-10H2,1H3