ethyl 5-(2-chloranyl-4-methylsulfanyl-phenyl)-4-cyclopropylcarbonyl-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 5-(2-chloranyl-4-methylsulfanyl-phenyl)-4-cyclopropylcarbonyl-1,2-oxazole-3-carboxylate Openeye Name: ethyl 5-(2-chloro-4-methylsulfanyl-phenyl)-4-(cyclopropanecarbonyl)isoxazole-3-carboxylate CAS Name: 5-[2-chloro-4-(methylthio)phenyl]-4-[cyclopropyl(oxo)methyl]-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-chloro-4-methylsulfanylphenyl)-4-(cyclopropanecarbonyl)-1,2-oxazole-3-carboxylate Traditional Name: 5-[2-chloro-4-(methylthio)phenyl]-4-(cyclopropanecarbonyl)isoxazole-3-carboxylic acid ethyl ester Formula: C17H16ClNO4S MolecularWeight: 365.83124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1C(=O)C2CC2)C3=C(C=C(C=C3)SC)Cl

Isomeric SMILES

CCOC(=O)C1=NOC(=C1C(=O)C2CC2)C3=C(C=C(C=C3)SC)Cl

InChI

InChI=1S/C17H16ClNO4S/c1-3-22-17(21)14-13(15(20)9-4-5-9)16(23-19-14)11-7-6-10(24-2)8-12(11)18/h6-9H,3-5H2,1-2H3