methyl 2-methyl-5-[(2-nitrophenyl)sulfinylmethyl]-3-phenyl-3H-1,2-oxazole-4-carboxylate

Systemtic Name: methyl 2-methyl-5-[(2-nitrophenyl)sulfinylmethyl]-3-phenyl-3H-1,2-oxazole-4-carboxylate Openeye Name: methyl 2-methyl-5-[(2-nitrophenyl)sulfinylmethyl]-3-phenyl-3H-isoxazole-4-carboxylate CAS Name: 2-methyl-5-[(2-nitrophenyl)sulfinylmethyl]-3-phenyl-3H-isoxazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(2-nitrophenyl)sulfinylmethyl]-3-phenyl-3H-1,2-oxazole-4-carboxylate Traditional Name: 2-methyl-5-[(2-nitrophenyl)sulfinylmethyl]-3-phenyl-4-isoxazoline-4-carboxylic acid methyl ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(=C(O1)CS(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CN1C(C(=C(O1)CS(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C19H18N2O6S/c1-20-18(13-8-4-3-5-9-13)17(19(22)26-2)15(27-20)12-28(25)16-11-7-6-10-14(16)21(23)24/h3-11,18H,12H2,1-2H3