ethyl (3S)-1-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-sulfanyl-methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-sulfanyl-methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(6-oxocyclohexa-2,4-dien-1-ylidene)-sulfanyl-methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[mercapto-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(6-oxocyclohexa-2,4-dien-1-ylidene)-sulfanylmethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(6-ketocyclohexa-2,4-dien-1-ylidene)-mercapto-methyl]nipecotic acid ethyl ester Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=C2C=CC=CC2=O)S

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=C2C=CC=CC2=O)S

InChI

InChI=1S/C15H19NO3S/c1-2-19-15(18)11-6-5-9-16(10-11)14(20)12-7-3-4-8-13(12)17/h3-4,7-8,11,20H,2,5-6,9-10H2,1H3/t11-/m0/s1