methyl (2R)-4-[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-oxoprop-2-enyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acryloyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C=CC2=CC(=CC3=C2OCOC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)/C=C/C2=CC(=CC3=C2OCOC3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O7S/c1-24-17(21)14-8-18(4-5-27-14)15(20)3-2-11-6-13(19(22)23)7-12-9-25-10-26-16(11)12/h2-3,6-7,14H,4-5,8-10H2,1H3/b3-2+/t14-/m1/s1