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

Systemtic Name: 4-(4-chloranyl-2-methylsulfanyl-phenyl)carbonyl-5-cyclopropyl-1,2-oxazole-3-carboxylate Openeye Name: 4-(4-chloro-2-methylsulfanyl-benzoyl)-5-cyclopropyl-isoxazole-3-carboxylate CAS Name: 4-[[4-chloro-2-(methylthio)phenyl]-oxomethyl]-5-cyclopropyl-3-isoxazolecarboxylate IUPAC Name: 4-(4-chloro-2-methylsulfanylbenzoyl)-5-cyclopropyl-1,2-oxazole-3-carboxylate Traditional Name: 4-[4-chloro-2-(methylthio)benzoyl]-5-cyclopropyl-isoxazole-3-carboxylate Formula: C15H11ClNO4S- MolecularWeight: 336.77014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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