2-(2,2-dimethyl-4-oxidanylidene-3H-1,5-benzothiazepin-5-yl)ethanoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)N(C2=CC=CC=C2S1)CC(=O)O)C

Isomeric SMILES

CC1(CC(=O)N(C2=CC=CC=C2S1)CC(=O)O)C

InChI

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