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

Systemtic Name: 3-[(2-chloranyl-3-ethoxy-4-methylsulfonyl-phenyl)methyl]-5-cyclopropyl-1,2-oxazol-4-ol Openeye Name: 3-[(2-chloro-3-ethoxy-4-methylsulfonyl-phenyl)methyl]-5-cyclopropyl-isoxazol-4-ol CAS Name: 3-[(2-chloro-3-ethoxy-4-methylsulfonylphenyl)methyl]-5-cyclopropyl-4-isoxazolol IUPAC Name: 3-[(2-chloro-3-ethoxy-4-methylsulfonylphenyl)methyl]-5-cyclopropyl-1,2-oxazol-4-ol Traditional Name: 3-(2-chloro-3-ethoxy-4-mesyl-benzyl)-5-cyclopropyl-isoxazol-4-ol Formula: C16H18ClNO5S MolecularWeight: 371.83582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1Cl)CC2=NOC(=C2O)C3CC3)S(=O)(=O)C

Isomeric SMILES

CCOC1=C(C=CC(=C1Cl)CC2=NOC(=C2O)C3CC3)S(=O)(=O)C

InChI

InChI=1S/C16H18ClNO5S/c1-3-22-16-12(24(2,20)21)7-6-10(13(16)17)8-11-14(19)15(23-18-11)9-4-5-9/h6-7,9,19H,3-5,8H2,1-2H3