methyl (2R)-4-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[(E)-3-(5-nitro-2-furyl)prop-2-enoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(E)-3-(5-nitro-2-furanyl)-1-oxoprop-2-enyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[(E)-3-(5-nitro-2-furyl)acryloyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C13H14N2O6S MolecularWeight: 326.32506

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O6S/c1-20-13(17)10-8-14(6-7-22-10)11(16)4-2-9-3-5-12(21-9)15(18)19/h2-5,10H,6-8H2,1H3/b4-2+/t10-/m1/s1