methyl 6-chloranyl-3-[(5-cyclopropyl-1,2-oxazol-3-yl)carbonyl]-2-methylsulfanyl-benzoate

Systemtic Name: methyl 6-chloranyl-3-[(5-cyclopropyl-1,2-oxazol-3-yl)carbonyl]-2-methylsulfanyl-benzoate Openeye Name: methyl 6-chloro-3-(5-cyclopropylisoxazole-3-carbonyl)-2-methylsulfanyl-benzoate CAS Name: 6-chloro-3-[(5-cyclopropyl-3-isoxazolyl)-oxomethyl]-2-(methylthio)benzoic acid methyl ester IUPAC Name: methyl 6-chloro-3-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-methylsulfanylbenzoate Traditional Name: 6-chloro-3-(5-cyclopropylisoxazole-3-carbonyl)-2-(methylthio)benzoic acid methyl ester Formula: C16H14ClNO4S MolecularWeight: 351.80466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1SC)C(=O)C2=NOC(=C2)C3CC3)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1SC)C(=O)C2=NOC(=C2)C3CC3)Cl

InChI

InChI=1S/C16H14ClNO4S/c1-21-16(20)13-10(17)6-5-9(15(13)23-2)14(19)11-7-12(22-18-11)8-3-4-8/h5-8H,3-4H2,1-2H3