2-(2-ethyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoic acid

Systemtic Name: 2-(2-ethyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoic acid Openeye Name: 2-(2-ethyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetic acid CAS Name: 2-(2-ethyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetic acid IUPAC Name: 2-(2-ethyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetic acid Traditional Name: 2-(2-ethyl-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetic acid Formula: C13H15NO3S MolecularWeight: 265.3281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(=O)N(C2=CC=CC=C2S1)CC(=O)O

Isomeric SMILES

CCC1CC(=O)N(C2=CC=CC=C2S1)CC(=O)O

InChI

InChI=1S/C13H15NO3S/c1-2-9-7-12(15)14(8-13(16)17)10-5-3-4-6-11(10)18-9/h3-6,9H,2,7-8H2,1H3,(H,16,17)