(3S)-5-(5-chloranylthiophen-2-yl)-3-methyl-5-oxidanylidene-pentanoic acid

Systemtic Name: (3S)-5-(5-chloranylthiophen-2-yl)-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: (3S)-5-(5-chloro-2-thienyl)-3-methyl-5-oxo-pentanoic acid CAS Name: (3S)-5-(5-chloro-2-thiophenyl)-3-methyl-5-oxopentanoic acid IUPAC Name: (3S)-5-(5-chlorothiophen-2-yl)-3-methyl-5-oxopentanoic acid Traditional Name: (3S)-5-(5-chloro-2-thienyl)-5-keto-3-methyl-valeric acid Formula: C10H11ClO3S MolecularWeight: 246.71054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=C(S1)Cl)CC(=O)O

Isomeric SMILES

C[C@@H](CC(=O)C1=CC=C(S1)Cl)CC(=O)O

InChI

InChI=1S/C10H11ClO3S/c1-6(5-10(13)14)4-7(12)8-2-3-9(11)15-8/h2-3,6H,4-5H2,1H3,(H,13,14)/t6-/m0/s1