4-(2-chloranyl-4-methylsulfanyl-phenyl)carbonyl-5-cyclopropyl-1,2-oxazole-3-carboxylic acid

Systemtic Name: 4-(2-chloranyl-4-methylsulfanyl-phenyl)carbonyl-5-cyclopropyl-1,2-oxazole-3-carboxylic acid Openeye Name: 4-(2-chloro-4-methylsulfanyl-benzoyl)-5-cyclopropyl-isoxazole-3-carboxylic acid CAS Name: 4-[[2-chloro-4-(methylthio)phenyl]-oxomethyl]-5-cyclopropyl-3-isoxazolecarboxylic acid IUPAC Name: 4-(2-chloro-4-methylsulfanylbenzoyl)-5-cyclopropyl-1,2-oxazole-3-carboxylic acid Traditional Name: 4-[2-chloro-4-(methylthio)benzoyl]-5-cyclopropyl-isoxazole-3-carboxylic acid Formula: C15H12ClNO4S MolecularWeight: 337.77808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)C(=O)C2=C(ON=C2C(=O)O)C3CC3)Cl

Isomeric SMILES

CSC1=CC(=C(C=C1)C(=O)C2=C(ON=C2C(=O)O)C3CC3)Cl

InChI

InChI=1S/C15H12ClNO4S/c1-22-8-4-5-9(10(16)6-8)13(18)11-12(15(19)20)17-21-14(11)7-2-3-7/h4-7H,2-3H2,1H3,(H,19,20)