(phenylmethyl) 4-[[1,1-bis(oxidanylidene)-1-benzothiophen-4-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[1,1-bis(oxidanylidene)-1-benzothiophen-4-yl]carbonyl]piperazine-1-carboxylate Openeye Name: benzyl 4-(1,1-dioxobenzothiophene-4-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(1,1-dioxo-1-benzothiophen-4-yl)-oxomethyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(1,1-dioxo-1-benzothiophene-4-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(1,1-diketobenzothiophene-4-carbonyl)piperazine-1-carboxylic acid benzyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C3C=CS(=O)(=O)C3=CC=C2)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=C3C=CS(=O)(=O)C3=CC=C2)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H20N2O5S/c24-20(18-7-4-8-19-17(18)9-14-29(19,26)27)22-10-12-23(13-11-22)21(25)28-15-16-5-2-1-3-6-16/h1-9,14H,10-13,15H2