3,3-dimethyl-2-(5-oxidanylidene-4,6-dihydrothieno[3,2-b]azepin-8-yl)butanoic acid

Systemtic Name: 3,3-dimethyl-2-(5-oxidanylidene-4,6-dihydrothieno[3,2-b]azepin-8-yl)butanoic acid Openeye Name: 3,3-dimethyl-2-(5-oxo-4,6-dihydrothieno[3,2-b]azepin-8-yl)butanoic acid CAS Name: 3,3-dimethyl-2-(5-oxo-4,6-dihydrothieno[3,2-b]azepin-8-yl)butanoic acid IUPAC Name: 3,3-dimethyl-2-(5-oxo-4,6-dihydrothieno[3,2-b]azepin-8-yl)butanoic acid Traditional Name: 2-(5-keto-4,6-dihydrothien[3,2-b]azepin-8-yl)-3,3-dimethyl-butyric acid Formula: C14H17NO3S MolecularWeight: 279.35468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1=CCC(=O)NC2=C1SC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C(C1=CCC(=O)NC2=C1SC=C2)C(=O)O

InChI

InChI=1S/C14H17NO3S/c1-14(2,3)11(13(17)18)8-4-5-10(16)15-9-6-7-19-12(8)9/h4,6-7,11H,5H2,1-3H3,(H,15,16)(H,17,18)