ethyl 4-(3-methyl-4-nitro-phenyl)carbonylthiomorpholine-3-carboxylate

Systemtic Name: ethyl 4-(3-methyl-4-nitro-phenyl)carbonylthiomorpholine-3-carboxylate Openeye Name: ethyl 4-(3-methyl-4-nitro-benzoyl)thiomorpholine-3-carboxylate CAS Name: 4-[(3-methyl-4-nitrophenyl)-oxomethyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-methyl-4-nitrobenzoyl)thiomorpholine-3-carboxylate Traditional Name: 4-(3-methyl-4-nitro-benzoyl)thiomorpholine-3-carboxylic acid ethyl ester Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1CSCCN1C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C15H18N2O5S/c1-3-22-15(19)13-9-23-7-6-16(13)14(18)11-4-5-12(17(20)21)10(2)8-11/h4-5,8,13H,3,6-7,9H2,1-2H3