methyl 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoyloxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoyloxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CSCC3=C(ON=C3C)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CSCC3=C(ON=C3C)C)C(=O)OC

InChI

InChI=1S/C21H22N2O5S/c1-12-15-7-5-6-8-17(15)22-18(20(12)21(25)26-4)9-27-19(24)11-29-10-16-13(2)23-28-14(16)3/h5-8H,9-11H2,1-4H3