tert-butyl 3-methylsulfanyl-4-[(E)-(3-oxidanylidene-1H-inden-2-ylidene)methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-methylsulfanyl-4-[(E)-(3-oxidanylidene-1H-inden-2-ylidene)methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 3-methylsulfanyl-4-[(E)-(1-oxoindan-2-ylidene)methyl]piperazine-1-carboxylate CAS Name: 3-(methylthio)-4-[(E)-(3-oxo-1H-inden-2-ylidene)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-methylsulfanyl-4-[(E)-(3-oxo-1H-inden-2-ylidene)methyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-(1-ketoindan-2-ylidene)methyl]-3-(methylthio)piperazine-1-carboxylic acid tert-butyl ester Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)SC)C=C2CC3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)SC)/C=C/2\CC3=CC=CC=C3C2=O

InChI

InChI=1S/C20H26N2O3S/c1-20(2,3)25-19(24)22-10-9-21(17(13-22)26-4)12-15-11-14-7-5-6-8-16(14)18(15)23/h5-8,12,17H,9-11,13H2,1-4H3/b15-12+