2-[2-(2,3,4,5-tetrahydro-1,5-benzothiazepin-2-yloxy)ethanoylamino]ethanesulfonic acid

Systemtic Name: 2-[2-(2,3,4,5-tetrahydro-1,5-benzothiazepin-2-yloxy)ethanoylamino]ethanesulfonic acid Openeye Name: 2-[[2-(2,3,4,5-tetrahydro-1,5-benzothiazepin-2-yloxy)acetyl]amino]ethanesulfonic acid CAS Name: 2-[[1-oxo-2-(2,3,4,5-tetrahydro-1,5-benzothiazepin-2-yloxy)ethyl]amino]ethanesulfonic acid IUPAC Name: 2-[[2-(2,3,4,5-tetrahydro-1,5-benzothiazepin-2-yloxy)acetyl]amino]ethanesulfonic acid Traditional Name: 2-[[2-(2,3,4,5-tetrahydro-1,5-benzothiazepin-2-yloxy)acetyl]amino]ethanesulfonic acid Formula: C13H18N2O5S2 MolecularWeight: 346.42242

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=CC=CC=C2SC1OCC(=O)NCCS(=O)(=O)O

Isomeric SMILES

C1CNC2=CC=CC=C2SC1OCC(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C13H18N2O5S2/c16-12(15-7-8-22(17,18)19)9-20-13-5-6-14-10-3-1-2-4-11(10)21-13/h1-4,13-14H,5-9H2,(H,15,16)(H,17,18,19)