methyl (2R)-4-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)acryloyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C16H16N2O7S MolecularWeight: 380.37244

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C16H16N2O7S/c1-23-16(20)14-8-17(4-5-26-14)15(19)3-2-10-6-12-13(25-9-24-12)7-11(10)18(21)22/h2-3,6-7,14H,4-5,8-9H2,1H3/b3-2+/t14-/m1/s1