methyl 3-[(phenylmethylsulfanyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxylate

Systemtic Name: methyl 3-[(phenylmethylsulfanyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxylate Openeye Name: methyl 3-(benzylsulfanylmethyl)-4,5-dihydroisoxazole-5-carboxylate CAS Name: 3-[(phenylmethylthio)methyl]-4,5-dihydroisoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(benzylsulfanylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate Traditional Name: 3-[(benzylthio)methyl]-2-isoxazoline-5-carboxylic acid methyl ester Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=NO1)CSCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1CC(=NO1)CSCC2=CC=CC=C2

InChI

InChI=1S/C13H15NO3S/c1-16-13(15)12-7-11(14-17-12)9-18-8-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3