methyl 3-(3-cyanophenyl)-5-(ethylsulfonylmethyl)-4H-1,2-oxazole-5-carboxylate

Systemtic Name: methyl 3-(3-cyanophenyl)-5-(ethylsulfonylmethyl)-4H-1,2-oxazole-5-carboxylate Openeye Name: methyl 3-(3-cyanophenyl)-5-(ethylsulfonylmethyl)-4H-isoxazole-5-carboxylate CAS Name: 3-(3-cyanophenyl)-5-(ethylsulfonylmethyl)-4H-isoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-cyanophenyl)-5-(ethylsulfonylmethyl)-4H-1,2-oxazole-5-carboxylate Traditional Name: 3-(3-cyanophenyl)-5-(esylmethyl)-2-isoxazoline-5-carboxylic acid methyl ester Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CC1(CC(=NO1)C2=CC=CC(=C2)C#N)C(=O)OC

Isomeric SMILES

CCS(=O)(=O)CC1(CC(=NO1)C2=CC=CC(=C2)C#N)C(=O)OC

InChI

InChI=1S/C15H16N2O5S/c1-3-23(19,20)10-15(14(18)21-2)8-13(17-22-15)12-6-4-5-11(7-12)9-16/h4-7H,3,8,10H2,1-2H3