2-(3-methanethioyl-2-oxidanylidene-azocan-1-yl)propanoic acid

Systemtic Name: 2-(3-methanethioyl-2-oxidanylidene-azocan-1-yl)propanoic acid Openeye Name: 2-(3-methanethioyl-2-oxo-azocan-1-yl)propanoic acid CAS Name: 2-(3-methanethioyl-2-oxo-1-azocanyl)propanoic acid IUPAC Name: 2-(3-methanethioyl-2-oxoazocan-1-yl)propanoic acid Traditional Name: 2-(2-keto-3-thioformyl-azocan-1-yl)propionic acid Formula: C11H17NO3S MolecularWeight: 243.32258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCCCCC(C1=O)C=S

Isomeric SMILES

CC(C(=O)O)N1CCCCCC(C1=O)C=S

InChI

InChI=1S/C11H17NO3S/c1-8(11(14)15)12-6-4-2-3-5-9(7-16)10(12)13/h7-9H,2-6H2,1H3,(H,14,15)