tert-butyl 4-[(E)-methylsulfanyl-(1-oxidanylidene-3,4,5,6-tetrahydronaphthalen-2-ylidene)methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-methylsulfanyl-(1-oxidanylidene-3,4,5,6-tetrahydronaphthalen-2-ylidene)methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-methylsulfanyl-(1-oxo-3,4,5,6-tetrahydronaphthalen-2-ylidene)methyl]piperazine-1-carboxylate CAS Name: 4-[(E)-(methylthio)-(1-oxo-3,4,5,6-tetrahydronaphthalen-2-ylidene)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-methylsulfanyl-(1-oxo-3,4,5,6-tetrahydronaphthalen-2-ylidene)methyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-(1-keto-3,4,5,6-tetrahydronaphthalen-2-ylidene)-(methylthio)methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=C2CCC3=C(C2=O)C=CCC3)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)/C(=C\2/CCC3=C(C2=O)C=CCC3)/SC

InChI

InChI=1S/C21H30N2O3S/c1-21(2,3)26-20(25)23-13-11-22(12-14-23)19(27-4)17-10-9-15-7-5-6-8-16(15)18(17)24/h6,8H,5,7,9-14H2,1-4H3/b19-17+