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

Systemtic Name: 4-[[1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]amino]butanoic acid Openeye Name: 4-[(1,1-dioxo-2,3-dihydrobenzothiophen-3-yl)amino]butanoic acid CAS Name: 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]butanoic acid IUPAC Name: 4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]butanoic acid Traditional Name: 4-[(1,1-diketo-2,3-dihydrobenzothiophen-3-yl)amino]butyric acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2S1(=O)=O)NCCCC(=O)O

Isomeric SMILES

C1C(C2=CC=CC=C2S1(=O)=O)NCCCC(=O)O

InChI

InChI=1S/C12H15NO4S/c14-12(15)6-3-7-13-10-8-18(16,17)11-5-2-1-4-9(10)11/h1-2,4-5,10,13H,3,6-8H2,(H,14,15)