2-[4-[1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(1,1-dioxo-2,3-dihydrobenzothiophen-3-yl)piperazin-1-yl]acetic acid CAS Name: 2-[4-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(1,1-diketo-2,3-dihydrobenzothiophen-3-yl)piperazino]acetic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C2CS(=O)(=O)C3=CC=CC=C23

Isomeric SMILES

C1CN(CCN1CC(=O)O)C2CS(=O)(=O)C3=CC=CC=C23

InChI

InChI=1S/C14H18N2O4S/c17-14(18)9-15-5-7-16(8-6-15)12-10-21(19,20)13-4-2-1-3-11(12)13/h1-4,12H,5-10H2,(H,17,18)