[3-[(2-chloranyl-4-methylsulfonyl-phenyl)methyl]-5-cyclopropyl-1,2-oxazol-4-yl] ethanoate

Systemtic Name: [3-[(2-chloranyl-4-methylsulfonyl-phenyl)methyl]-5-cyclopropyl-1,2-oxazol-4-yl] ethanoate Openeye Name: [3-[(2-chloro-4-methylsulfonyl-phenyl)methyl]-5-cyclopropyl-isoxazol-4-yl] acetate CAS Name: acetic acid [3-[(2-chloro-4-methylsulfonylphenyl)methyl]-5-cyclopropyl-4-isoxazolyl] ester IUPAC Name: [3-[(2-chloro-4-methylsulfonylphenyl)methyl]-5-cyclopropyl-1,2-oxazol-4-yl] acetate Traditional Name: acetic acid [3-(2-chloro-4-mesyl-benzyl)-5-cyclopropyl-isoxazol-4-yl] ester Formula: C16H16ClNO5S MolecularWeight: 369.81994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(ON=C1CC2=C(C=C(C=C2)S(=O)(=O)C)Cl)C3CC3

Isomeric SMILES

CC(=O)OC1=C(ON=C1CC2=C(C=C(C=C2)S(=O)(=O)C)Cl)C3CC3

InChI

InChI=1S/C16H16ClNO5S/c1-9(19)22-16-14(18-23-15(16)10-3-4-10)7-11-5-6-12(8-13(11)17)24(2,20)21/h5-6,8,10H,3-4,7H2,1-2H3