methyl (2R)-4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[(E)-3-(3-nitrophenyl)acryloyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O5S/c1-22-15(19)13-10-16(7-8-23-13)14(18)6-5-11-3-2-4-12(9-11)17(20)21/h2-6,9,13H,7-8,10H2,1H3/b6-5+/t13-/m1/s1