ethyl 4-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholine-3-carboxylate

Systemtic Name: ethyl 4-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholine-3-carboxylate Openeye Name: ethyl 4-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholine-3-carboxylate CAS Name: 4-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholine-3-carboxylate Traditional Name: 4-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholine-3-carboxylic acid ethyl ester Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1CC2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CSCCN1CC2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5S/c1-2-24-16(21)13-10-26-7-6-19(13)9-14-17-15(18-25-14)11-4-3-5-12(8-11)20(22)23/h3-5,8,13H,2,6-7,9-10H2,1H3