tert-butyl 4-[6-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-5H-thieno[3,2-c]pyridin-4-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-5H-thieno[3,2-c]pyridin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-(4-oxocyclohexa-2,5-dien-1-ylidene)-5H-thieno[3,2-c]pyridin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(4-oxo-1-cyclohexa-2,5-dienylidene)-5H-thieno[3,2-c]pyridin-4-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-(4-oxocyclohexa-2,5-dien-1-ylidene)-5H-thieno[3,2-c]pyridin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(4-ketocyclohexa-2,5-dien-1-ylidene)-5H-thieno[3,2-c]pyridin-4-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C=CSC3=CC(=C4C=CC(=O)C=C4)N2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C=CSC3=CC(=C4C=CC(=O)C=C4)N2

InChI

InChI=1S/C22H25N3O3S/c1-22(2,3)28-21(27)25-11-9-24(10-12-25)20-17-8-13-29-19(17)14-18(23-20)15-4-6-16(26)7-5-15/h4-8,13-14,23H,9-12H2,1-3H3