methyl 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-3,3-dimethoxy-propanoate

Systemtic Name: methyl 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-3,3-dimethoxy-propanoate Openeye Name: methyl 2-[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]phenyl]-3,3-dimethoxy-propanoate CAS Name: 2-[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]phenyl]-3,3-dimethoxypropanoic acid methyl ester IUPAC Name: methyl 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-3,3-dimethoxypropanoate Traditional Name: 2-[2-[(3,5-dimethylisoxazol-4-yl)methylthio]phenyl]-3,3-dimethoxy-propionic acid methyl ester Formula: C18H23NO5S MolecularWeight: 365.44392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(C(OC)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(C(OC)OC)C(=O)OC

InChI

InChI=1S/C18H23NO5S/c1-11-14(12(2)24-19-11)10-25-15-9-7-6-8-13(15)16(17(20)21-3)18(22-4)23-5/h6-9,16,18H,10H2,1-5H3